SCHEMBL1429638

SCHEMBL1429638

N#Cc1cccc(Nc2nc(Cl)ccc2[N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.50
FGFR4 P22455 1/20 0.46
VCAM1 P19320 2/20 0.45
SYK P43405 1/20 0.44
MAPT P10636 3/20 0.44
PIN1 Q13526 1/20 0.44
MERTK Q12866 1/20 0.43
STK10 O94804 1/20 0.40
SLK Q9H2G2 1/20 0.40

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
SCHEMBL717565 0.85 MERTK (0.55) ABCG2FGFR4VCAM1SYKMAPT
SCHEMBL9984889 0.82 FGFR4 (0.49) ABCG2FGFR4MAPTPIN1
SCHEMBL1600402 0.80 PIN1 (0.65) ABCG2FGFR4MAPTPIN1
SCHEMBL6796348 0.80 MAPT (0.53) ABCG2SYKMAPT
SCHEMBL1429473 0.78 ABCG2 (0.50) ABCG2SYKMAPT
SCHEMBL16854711 0.78 SYK (0.46) ABCG2SYKMAPTSTK10SLK
SCHEMBL9984184 0.77 MAPT (0.49) FGFR4MAPT
SCHEMBL29392518 0.77 FGFR4 (0.49) FGFR4VCAM1MAPTPIN1MERTK
SCHEMBL18766140 0.77 FGFR4 (0.49) FGFR4VCAM1MAPTPIN1MERTK
SCHEMBL14762497 0.75 FGFR4 (0.51) ABCG2FGFR4SYKMAPTPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300469-B1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-06-24 EP disclosed
US-8507488-B2 Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507488-B2 Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507488-B2 Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP disclosed
US-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-07-07 US disclosed
US-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-07-07 US disclosed
US-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-07-07 US disclosed
EP-2300469-A2 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-03-30 EP disclosed
WO-2009140128-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-11-19 WO disclosed
WO-2009140128-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-11-19 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 (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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 ABCG2 3694/4885FGFR4 1689/4885VCAM1 946/4885
US-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS ALK, ROS1, FLT3 ABCG2 3396/4885FGFR4 32/4885VCAM1 2866/4885

“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.