SCHEMBL3389189

SCHEMBL3389189

NC[C@@H](O)c1ccc(F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
RECQL P46063 3/20 0.52
APEX1 P27695 3/20 0.52
TAAR1 Q96RJ0 3/20 0.52
CYP3A4 P08684 3/20 0.52
ADRB2 P07550 3/20 0.52
ADRA2A P08913 3/20 0.52
ADRA2B P18089 3/20 0.52
ADRA2C P18825 3/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRA1D P25100 2/20 0.52
ADRA1A P35348 2/20 0.52
MEN1 O00255 1/20 0.52
ADORA3 P0DMS8 1/20 0.52

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
SCHEMBL8402037 1.00 BLM (0.52) BLMTDP1KDM4EMAPTRECQL
Hydrochloric Acid SCHEMBL4853493 0.98 BLM (0.50) BLMTDP1KDM4EMAPTRECQL
Hydrochloric Acid SCHEMBL15517746 0.84 BLM (0.50) BLMTDP1KDM4EMAPTRECQL
Hydrochloric Acid SCHEMBL15511842 0.84 BLM (0.50) BLMTDP1KDM4EMAPTRECQL
Phenylethanolamine SCHEMBL25831761 0.82 BLM (0.57) BLMTDP1KDM4EMAPTRECQL
Phenylethanolamine SCHEMBL21723498 0.82 BLM (0.57) BLMTDP1KDM4EMAPTRECQL
Phenylethanolamine SCHEMBL7150657 0.82 BLM (0.57) BLMTDP1KDM4EMAPTRECQL
Phenylethanolamine SCHEMBL296410 0.82 BLM (0.57) BLMTDP1KDM4EMAPTRECQL
SCHEMBL7148580 0.82 BLM (0.57) BLMTDP1KDM4EMAPTRECQL
SCHEMBL3403672 0.82 BLM (0.57) BLMTDP1KDM4EMAPTRECQL

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109863146-B Biaryl compounds as immunomodulators 百时美施贵宝公司 2023-02-28 CN disclosed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed
EP-3507284-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2019-07-10 EP disclosed
US-10144706-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-04 US disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 US disclosed
EP-1423380-B1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2010-12-15 EP disclosed
EP-1423382-B1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2008-04-16 EP disclosed
US-7279476-B2 Anticancer agents, antiinflamamtory agents, restenosis, cardiovascular disorders; insertable device VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7183307-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCROPORATED (US) 2007-02-27 US disclosed
US-20050215550-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-09-29 US disclosed
US-6875789-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-05 US disclosed
US-20040209935-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-10-21 US disclosed
US-6750239-B2 USEFUL FOR TREATING DISEASE STATES IN MAMMALS THAT ARE ALLEVIATED BY A PROTEIN KINASE INHIBITOR, PARTICULARLY DISEASES SUCH AS CANCER, INFLAMMATORY DISORDERS, RESTENOSIS, AND CARDIOVASCULAR DISEASE VERTEX PHARMACEUTICALS INCORPORATED 2004-06-15 US disclosed
EP-1423382-A2 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-06-02 EP disclosed
EP-1423380-A1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-06-02 EP disclosed
US-20030144337-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-07-31 US disclosed
US-20030139452-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-07-24 US disclosed
WO-2003011855-A2 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 WO disclosed
WO-2003011854-A1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 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 (6 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-20040209935-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 BLM 1808/4885TDP1 750/4885KDM4E 1767/4885
US-20050215550-A1 Pyrazole-derived kinase inhibitors and uses thereof MAP3K19, MAP3K1, MAP3K3 BLM 1311/4885TDP1 885/4885KDM4E 1942/4885
US-10144706-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 BLM 549/4885TDP1 2535/4885KDM4E 4249/4885
US-20030139452-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 BLM 1689/4885TDP1 717/4885KDM4E 1900/4885
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 BLM 549/4885TDP1 2535/4885KDM4E 4249/4885
US-20030144337-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 BLM 1808/4885TDP1 750/4885KDM4E 1767/4885

“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.