SCHEMBL3122776

SCHEMBL3122776

CN(c1ccncc1)c1ncccc1C(=O)N[C@H]1CC[C@@H](C(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.43
▸ CNR2 P34972 6/20 0.43
▸ CNR1 P21554 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL3121702 1.00 RAB9A (0.43) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL3115088 0.78 RAB9A (0.49) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL3108907 0.78 RAB9A (0.49) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL3108915 0.78 RAB9A (0.49) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL3106569 0.77 KDR (0.56) CNR2CNR1
SCHEMBL3122794 0.77 KDR (0.56) CNR2CNR1
SCHEMBL3121697 0.77 KDR (0.56) CNR2CNR1
SCHEMBL16455932 0.76 TNKS (0.53) RAB9ACNR2CNR1ALDH1A1KDM4E
SCHEMBL12384673 0.74 MAPT (0.57) RAB9AALDH1A1KDM4EGAAHPGDS
SCHEMBL3115288 0.73 NAMPT (0.49) RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979351-B1 6-PHENYL-1H-IMIDAZO[4, 5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN K AND S INHIBITORS ORGANON NV (NL) 2010-04-07 — — EP claimed
US-7687515-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2010-03-30 — — US claimed
EP-1259487-B1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-23 — — EP claimed
US-20070179138-A1 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2007-08-02 — — US claimed
EP-1979351-B1 6-PHENYL-1H-IMIDAZO[4, 5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN K AND S INHIBITORS ORGANON NV (NL) 2010-04-07 — — EP disclosed
US-7687515-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2010-03-30 — — US disclosed
US-20070179138-A1 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2007-08-02 — — US disclosed
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2003-02-13 — — US 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-20070179138-A1 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives CTSK, CTSS, CTSZ RAB9A 976/4885CNR2 105/4885CNR1 66/4885
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors KDR, ERBB2, FLT1 RAB9A 2850/4885CNR2 223/4885CNR1 506/4885

“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.

Send feedback