Sugi Predict

Sugi Predict / Compounds / SCHEMBL14575792

SCHEMBL14575792

SCHEMBL14575792

CN(C/C=C/C(=O)O)C1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ LSS P48449 3/20 0.36
▸ GABRR1 P24046 2/20 0.35
▸ GABRR2 P28476 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ GABRR3 A8MPY1 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ ADH1C P00326 1/20 0.32
▸ ADH1A P07327 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL14575794 1.00 KDM4E (0.46) KDM4EHTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL14576547 0.98 KDM4E (0.45) KDM4EHTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL14576545 0.98 KDM4E (0.45) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14575871 0.94 HTR2A (0.46) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14575869 0.94 HTR2A (0.46) KDM4EHTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL15136222 0.92 HTR2A (0.45) KDM4EHTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL15136221 0.92 HTR2A (0.45) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL18909608 0.85 KDM4E (0.42) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL18909625 0.83 KDM4E (0.41) KDM4EHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL30719696 0.83 KDM4E (0.41) KDM4EHTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862722-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-09 — — US disclosed
EP-3147285-A2 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, Inc. (US) 2017-03-29 — — EP disclosed
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-22 — — US disclosed
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-22 — — US disclosed
US-9469642-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-10-18 — — US disclosed
US-9469642-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-10-18 — — US disclosed
US-9273051-B2 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-03-01 — — US disclosed
US-20130197014-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-08-01 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
WO-2013102059-A1 PYRAZOLO [3, 4-D] PYRIMIDINE AND PYRROLO [2, 3-D] PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — WO disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — US disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — US disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — US disclosed
WO-2013010136-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — WO disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — 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 (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-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, LYN KDM4E 1167/4885HTR2A 3635/4885HTR2C 2751/4885
US-20160368924-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 KDM4E 1180/4885HTR2A 1642/4885HTR2C 1616/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 KDM4E 1552/4885HTR2A 4474/4885HTR2C 3968/4885
US-20130197014-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 KDM4E 1180/4885HTR2A 1642/4885HTR2C 1616/4885

“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.