Sugi Predict

Sugi Predict / Compounds / SCHEMBL2979684

SCHEMBL2979684

SCHEMBL2979684

C#CCC(C[CH2])c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ GABBR2 O75899 2/20 0.33
▸ GABBR1 Q9UBS5 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HRH1 P35367 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GRM7 Q14831 1/20 0.31
▸ DPP4 P27487 2/20 0.31
▸ F2 P00734 1/20 0.31

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
SCHEMBL3031215 0.79 TAAR1 (0.43) GABBR2GABBR1HTR2ATAAR1CYP1A2
SCHEMBL27579534 0.79 TRPA1 (0.38) GABBR2GABBR1HTR2ATAAR1CYP1A2
SCHEMBL5355243 0.79 GABBR2 (0.50) GABBR2GABBR1HTR2ATAAR1CYP1A2
SCHEMBL7517934 0.76 TRPA1 (0.42) GABBR2GABBR1HTR2ATAAR1CYP1A2
SCHEMBL8975327 0.75 HTR2A (0.46) HTR2ATAAR1TSHRHRH1MTOR
SCHEMBL7524659 0.75 GABBR2 (0.59) GABBR2GABBR1CYP1A2CYP2D6PKM
SCHEMBL28369665 0.75 GABBR2 (0.34) GABBR2GABBR1HTR2ATAAR1CYP1A2
SCHEMBL3211981 0.74 HTR2A (0.36) MAOAMAOBHTR2ATAAR1CYP1A2
SCHEMBL9126415 0.71 HRH1 (0.39) GABBR2GABBR1HTR2ATAAR1CYP1A2
SCHEMBL7277441 0.71 TAAR1 (0.37) GABBR2GABBR1HTR2ATAAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225327-A1 INDUCERS OF INTEGRATED STRESS RESPONSE TO TREAT CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-23 — — WO disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 — — US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 — — US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 — — US disclosed
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 — — US disclosed
EP-3902805-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV Therapeutics Inc. (US) 2021-11-03 — — EP disclosed
EP-3902801-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV Therapeutics Inc. (US) 2021-11-03 — — EP disclosed
WO-2020140053-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 — — WO disclosed
WO-2020140052-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 — — WO disclosed
WO-2020140054-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 — — WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 — — EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 — — WO disclosed
US-5945422-A ANTICANCER AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS WARNER-LAMBERT COMPANY (US) 1999-08-31 — — US disclosed
WO-1999019297-A9 SYNTHESIS OF AZETIDINE DERIVATIVES COELACANTH CHEMICAL CORP (US) 1999-07-08 — — WO disclosed
WO-1999019297-A1 SYNTHESIS OF AZETIDINE DERIVATIVES COELACANTH CHEMICAL CORPORATION (US) 1999-04-22 — — WO disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 — — WO disclosed
US-5733914-A Pyrido 2, 3-d!pyrimidines for inhibiting protein tyrosine kinase mediated cellular proliferation WARNER-LAMBERT COMPANY (US) 1998-03-31 — — US disclosed
EP-0823908-A1 PYRIDO 2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1998-02-18 — — EP disclosed
US-5620981-A ANTICARCINOGENIC AGENTS, ATHEROSCLEROSIS, RESTENOSIS, PSORIASIS WARNER-LAMBERT COMPANY (US) 1997-04-15 — — US disclosed
WO-1996034867-A1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-11-07 — — WO 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 (4 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-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK MAOA 4110/4885MAOB 3650/4885GABBR2 4672/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK MAOA 4110/4885MAOB 3650/4885GABBR2 4672/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK MAOA 4110/4885MAOB 3650/4885GABBR2 4672/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK MAOA 4110/4885MAOB 3650/4885GABBR2 4672/4885

“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.