SCHEMBL7958147

SCHEMBL7958147

CCn1c(C(=O)O)cc2cc(C#N)ccc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.57
GPR35 Q9HC97 1/20 0.56
CCR2 P41597 6/20 0.56
CCR9 P51686 2/20 0.52
BRPF1 P55201 2/20 0.46
SMARCA2 P51531 1/20 0.45
CNR1 P21554 3/20 0.44
ROCK2 O75116 1/20 0.43
ACSS2 Q9NR19 1/20 0.43
BRD1 O95696 1/20 0.41
BRPF3 Q9ULD4 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL10022666 0.89 CCR9 (0.65) NTRK1GPR35CCR2CCR9ROCK2
SCHEMBL7488753 0.84 MAPT (0.56) NTRK1BRPF1CNR1
SCHEMBL3212389 0.82 CCR2 (0.61) NTRK1GPR35CCR2CCR9CNR1
SCHEMBL4617249 0.81 KDM4E (0.60) NTRK1GPR35CCR2CCR9ROCK2
SCHEMBL3188873 0.80 CCR2 (0.56) NTRK1GPR35CCR2CCR9CNR1
SCHEMBL3209346 0.79 CCR2 (0.65) NTRK1CCR2CCR9CNR1
SCHEMBL3211807 0.79 CCR2 (0.71) NTRK1CCR2CCR9CNR1
SCHEMBL3207445 0.79 CCR2 (0.58) NTRK1CCR2CCR9CNR1
SCHEMBL3205717 0.79 CNR1 (0.69) NTRK1GPR35CCR2CCR9CNR1
SCHEMBL9613337 0.79 GPR35 (0.62) GPR35CCR2CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
CN-107849015-B Benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2021-03-19 CN disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-26 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-18 US disclosed
EP-3298003-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-03-28 EP disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed
EP-0655439-A2 5,6-Bicyclic glycoprotein IIb IIIa antagonists useful in inhibition of platelet aggregation ELI LILLY AND COMPANY (US) 1995-05-31 EP 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 (5 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-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 NTRK1 4800/4885GPR35 2793/4885CCR2 958/4885
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 NTRK1 4800/4885GPR35 2793/4885CCR2 958/4885
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 NTRK1 4800/4885GPR35 2793/4885CCR2 958/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA NTRK1 3297/4885GPR35 2173/4885CCR2 1806/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 NTRK1 4800/4885GPR35 2793/4885CCR2 958/4885

“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.