SCHEMBL4734686

SCHEMBL4734686

COc1cnccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ MAOA P21397 2/20 0.41
▸ RPS6KA3 P51812 1/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2E1 P05181 2/20 0.38
▸ CYP2A6 P11509 2/20 0.38
▸ CYP2B6 P20813 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ P2RX3 P56373 3/20 0.37
▸ P2RX2 Q9UBL9 3/20 0.37
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA3 P32297 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ GAA P10253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL459643 0.84 CA12 (0.40) CA1CA2CA9CA12MAOA
SCHEMBL29857671 0.84 CA12 (0.43) CA1CA2CA9CA12MAOA
SCHEMBL26917097 0.84 CA12 (0.43) CA1CA2CA9CA12MAOA
SCHEMBL26272364 0.84 CA12 (0.40) CA1CA2CA9CA12MAOA
SCHEMBL10216217 0.83 CA1 (0.46) CA1CA2CA9CA12MAOA
SCHEMBL23219698 0.81 CA12 (0.38) CA1CA2CA9CA12MAOA
SCHEMBL21725477 0.80 CA12 (0.47) CA1CA2CA9CA12RPS6KA3
SCHEMBL26840510 0.79 RPS6KA3 (0.37) RPS6KA3P2RX3P2RX2ALDH1A1SMN1; SMN2
SCHEMBL20940094 0.78 AAK1 (0.36) CA1CA2CA9CA12MAOA
SCHEMBL28857984 0.77 RPS6KA3 (0.40) RPS6KA3POLBGAAALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 — — US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 — — US disclosed
US-11780821-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2023-10-10 — — US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 — — US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 — — US disclosed
US-11739096-B2 5-(2,5-difluorophenyl)pyrrolidin-1-yl)-3-(1H-pyrazol-1-yl)pyrazolo [1,5-A]pyrimidine derivatives and related compounds as Trk kinase inhibitors for treating cancer PYRAMID BIOSCIENCES, INC. (US) 2023-08-29 — — US disclosed
US-20230242536-A1 METHODS FOR PREPARING TYROSINE RECEPTOR KINASE INHIBITORS PYRAMID BIOSCIENCES, INC. 2023-08-03 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 — — US disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 — — WO disclosed
US-8022077-B2 Pyrido[2,3-d]pyrimidines useful as HCV inhibitors, and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-09-20 — — US disclosed
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 — — US disclosed
US-20100056593-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 — — US disclosed
US-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 — — US disclosed
US-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES (US) 2010-03-04 — — US disclosed
US-20090131460-A1 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-05-21 — — US disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 — — US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100056465-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT CA1 1230/4885CA2 1201/4885CA9 486/4885
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CA1 3782/4885CA2 3359/4885CA9 4628/4885
US-11739096-B2 5-(2,5-difluorophenyl)pyrrolidin-1-yl)-3-(1H-pyrazol-1-yl)pyrazolo [1,5-A]pyrimidine derivatives and related compounds as Trk kinase inhibitors for treating cancer DTYMK, DCK, MAP3K9 CA1 4880/4885CA2 4783/4885CA9 4382/4885
US-20090131460-A1 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF DPYD, TYMP, PNP CA1 4885/4885CA2 4853/4885CA9 4840/4885
US-20100056593-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT CA1 1230/4885CA2 1201/4885CA9 486/4885
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 CA1 3763/4885CA2 4265/4885CA9 3447/4885
US-20100056542-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, OAT, PON1 CA1 1215/4885CA2 1134/4885CA9 521/4885
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 CA1 1795/4885CA2 637/4885CA9 1573/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CA1 3782/4885CA2 3359/4885CA9 4628/4885
US-20100056464-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS XDH, PON1, OAT CA1 1230/4885CA2 1201/4885CA9 486/4885
US-11780821-B2 Inhibitors of fibroblast activation protein FAP, FIBP, FRS2 CA1 4653/4885CA2 2997/4885CA9 3495/4885
US-20230242536-A1 METHODS FOR PREPARING TYROSINE RECEPTOR KINASE INHIBITORS LTK, FRK, LCK CA1 4705/4885CA2 4283/4885CA9 4532/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 CA1 2838/4885CA2 1943/4885CA9 4406/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CA1 3139/4885CA2 4405/4885CA9 2485/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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