SCHEMBL9984076

SCHEMBL9984076

Cc1ccc(Nc2nc(NCc3ccncc3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 7/20 0.46
CHEK1 O14757 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
RPS6KA3 P51812 1/20 0.44
NEK4 P51957 1/20 0.44
CSNK1G2 P78368 1/20 0.44
PRKCD Q05655 1/20 0.44
ROCK1 Q13464 1/20 0.44
PRKG1 Q13976 1/20 0.44
PKN2 Q16513 1/20 0.44
CDC42BPA Q5VT25 1/20 0.44
HIPK4 Q8NE63 1/20 0.44

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
SCHEMBL9985073 0.90 BRD4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9984796 0.88 NPC1 (0.54) MAPTCLK4BRD4NPC1RAB9A
SCHEMBL9983866 0.88 LMNA (0.49) MAPTCSNK1G2BRD4SMN1; SMN2NPC1
SCHEMBL9984742 0.86 ABCG2 (0.51) CYP1A2CYP2C9CYP2C19MAPTBRD4
SCHEMBL9985550 0.84 RAB9A (0.39) MAPTROCK1BRD4SMN1; SMN2NPC1
SCHEMBL9983890 0.84 MAPT (0.45) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9985560 0.83 EGFR (0.45) CYP3A4CYP2C9MAPTGSK3AGSK3B
SCHEMBL1601194 0.83 HSF1 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9983976 0.81 MAPT (0.57) MAPTSMN1; SMN2L3MBTL1TDP1HTT
SCHEMBL9984048 0.81 MAPT (0.45) CYP1A2MAPTROCK1BRD4HSF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CYP1A2 1338/4885CYP3A4 1344/4885CYP2C9 1967/4885

“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.