SCHEMBL1961428

SCHEMBL1961428

Cc1nc2c([nH]1)C=CN(Cc1cccc(C(=O)O)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 0.39
LMNA P02545 1/20 0.38
FOLH1 Q04609 1/20 0.37
CCR2 P41597 1/20 0.37
PLA2G10 O15496 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
YTHDC1 Q96MU7 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
SCHEMBL7501410 0.89 LOXL2 (0.43) SMN1; SMN2KMT2APOLBALDH1A1LMNA
SCHEMBL7492371 0.86 MEN1 (0.42) HIF1ASMN1; SMN2KMT2ATDP1POLB
SCHEMBL7496656 0.78 PTAFR (0.35)
SCHEMBL7496213 0.77 RAB9A (0.43) HTTKMT2ALMNAKDM4E
SCHEMBL1961115 0.70 CLPP (0.41) CYP2D6HTTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL9721642 0.67 CLPP (0.37) HTTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL1959645 0.66 NPC1 (0.40) CYP2C9SMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL1958150 0.66 CXCR2 (0.43) POLBALDH1A1KDM4E
SCHEMBL28284330 0.66 CYP2D6 (0.55) CYP2D6CYP2C9HIF1AHTTKMT2A
SCHEMBL12984648 0.65 LMNA (0.44) CYP2D6CYP2C9SMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-2546254-A1 Imidazo[4,5-C]pyridine compounds and methods of antiviral treatment K.U.Leuven Research & Development (BE) 2013-01-16 EP disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
EP-2161273-A1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment K.U.Leuven Research & Development (BE) 2010-03-10 EP disclosed
US-20100028301-A1 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-02-04 US disclosed
US-7648998-B2 5-((3-(4-chlorophenyl)isoxazol-5-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine; hepatitis-C-virus K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2010-01-19 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
EP-1706403-A2 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT K.U.Leuven Research & Development (BE) 2006-10-04 EP disclosed
US-20050222198-A1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment K.U. LEUVEN RESEARCH & DEVELOPMENT, GERHARD PUERSTINGER AND GILEAD SCIENCES, INC. 2005-10-06 US disclosed
WO-2005063744-A2 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2005-07-14 WO disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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 (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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 CYP2D6 782/4885CYP2C9 920/4885HIF1A 1502/4885
US-20100028301-A1 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT CYP3A5, TPMT, ZC3HAV1 CYP2D6 41/4885CYP2C9 71/4885HIF1A 959/4885
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment ZC3HAV1, TPMT, DPP4 CYP2D6 126/4885CYP2C9 207/4885HIF1A 1216/4885
US-20050222198-A1 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment CYP3A5, TPMT, TYMP CYP2D6 35/4885CYP2C9 62/4885HIF1A 951/4885

“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.