SCHEMBL3577754

SCHEMBL3577754

Brc1ccnc2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.47
PRKCI P41743 1/20 0.44
EGFR P00533 11/20 0.41
CCNC P24863 4/20 0.39
CDK8 P49336 4/20 0.39
SLC22A12 Q96S37 1/20 0.39
PIK3CA P42336 1/20 0.36
NFATC1 O95644 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL30509527 0.83 AXL (0.47) AXLPRKCIEGFRPIK3CANFATC1
SCHEMBL21917159 0.83 AXL (0.47) AXLPRKCIEGFRPIK3CANFATC1
SCHEMBL277031 0.74 EP300 (0.47) EGFRCCNCCDK8SLC22A12PIK3CA
SCHEMBL277030 0.74 SLC22A12 (0.42) EGFRCCNCCDK8SLC22A12PIK3CA
SCHEMBL38657246 0.74 KDM4C (0.40) AXLEGFRCCNCCDK8SLC22A12
SCHEMBL3147611 0.74 CCR1 (0.46) EGFRCCNCCDK8SLC22A12PIK3CA
SCHEMBL3147605 0.74 CCNC (0.39) EGFRCCNCCDK8SLC22A12PIK3CA
SCHEMBL2008208 0.74 CCNC (0.39) EGFRCCNCCDK8SLC22A12PIK3CA
SCHEMBL2879912 0.74 NCF1 (0.57) AXLEGFRCCNCCDK8SLC22A12
SCHEMBL16247883 0.74 DYRK1A (0.39) EGFRCCNCCDK8SLC22A12PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075478-B1 PHENYLUREA AND PHENYLTHIO UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP claimed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 CN disclosed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 EP disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 US disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
US-4716170-A 5-[1H-(5-membered-N-aromatic heteryl)-1-yl]-1,6-naphthyridin-2(1H)-ones and their cardiotonic use STERLING DRUG INC. (US) 1987-12-29 US disclosed
US-4697021-A 1,6-dihydro-6-oxo-3-pyridinecarbonitriles, intermediates for cardiotonic agents STERLING DRUG INC. (US) 1987-09-29 US disclosed
US-4657915-A INOTROPIC AGENTS STERLING DRUG INC. (US) 1987-04-14 US disclosed
US-4634772-A 2-[2-(di-lower-alkylamino)-1-propenyl]-6-methoxy-3-pyridinecarbonitriles, intermediates for cardiotonic agents STERLING DRUG INC. (US) 1987-01-06 US disclosed
EP-0189853-A2 1,6-Naphthyridin-2(1H)-ones having cardiotonic activity and preparation STERLING DRUG INC. (US) 1986-08-06 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C AXL 1942/4885PRKCI 749/4885EGFR 644/4885
US-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 AXL 674/4885PRKCI 476/4885EGFR 29/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C AXL 1942/4885PRKCI 749/4885EGFR 644/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA AXL 4207/4885PRKCI 4509/4885EGFR 2727/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS AXL 4158/4885PRKCI 4447/4885EGFR 4166/4885

“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.