SCHEMBL3399541

SCHEMBL3399541

c1ccc2c(-c3cc[nH]n3)ccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TGFBR1 P36897 9/20 0.46
MAPK14 Q16539 9/20 0.46
TGFBR2 P37173 1/20 0.46
ABL2 P42684 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
MAP3K20 Q9NYL2 1/20 0.46
CYP1A2 P05177 1/20 0.45
NFATC1 O95644 1/20 0.43
DYRK1A Q13627 1/20 0.43
NCF1 P14598 1/20 0.43
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL1227713 0.77 CYP1A2 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL29699887 0.77 CYP1A2 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL27917128 0.77 CYP1A2 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL30487734 0.75 CYP1A2 (0.58) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL6627903 0.74 TGFBR1 (0.67) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3428078 0.74 GAK (0.42) ACVR1
SCHEMBL674356 0.73 NISCH (0.42) NPC1KDM4EALDH1A1HPGDMAPK1
SCHEMBL30589021 0.73 NISCH (0.42) NPC1KDM4EALDH1A1HPGDMAPK1
SCHEMBL27596511 0.73 NISCH (0.42) NPC1KDM4EALDH1A1HPGDMAPK1
SCHEMBL9194481 0.72 CYP1A2 (0.53) NPC1RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020248908-A1 BIFUNCTIONAL IMMUNOMODULATOR, AND PHARMACEUTICALLY ACCEPTABLE SALT AND PHARMACEUTICAL COMPOSITION THEREOF 中国科学院广州生物医药与健康研究院 2020-12-17 WO disclosed
CN-102015678-A Fused pyridine active substances as c-Met inhibitors HOFFMANN LA ROCHE 2011-04-13 CN disclosed
US-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
US-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
EP-2247584-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009093049-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO disclosed
WO-2009093049-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO disclosed
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
CN-1960976-A 4-carbox pyrazole derivates useful as anti-viral agents SMITHKLINE BEECHAM CORP (US) 2007-05-09 CN disclosed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 EP disclosed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 WO disclosed
US-5622914-A APPLYING A PYRAZOLYL OR IMIDAZOLYL QUINOLINE DERIVATIVE; PLANT DISEASE CONTROL NIHON BAYER AGROCHEM K.K. (JP) 1997-04-22 US disclosed
EP-0703234-A1 Microbicidal Quinoline Derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-03-27 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 (2 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-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET MET, ROS1, ABL1 NPC1 2302/4885RAB9A 1454/4885KDM4E 826/4885
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L NPC1 352/4885RAB9A 1879/4885KDM4E 2215/4885

“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.