SCHEMBL9984742

SCHEMBL9984742

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.51
ABCB1 P08183 3/20 0.51
MERTK Q12866 1/20 0.43
NAMPT P43490 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
LRRK2 Q5S007 3/20 0.41
ABCC1 P33527 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
BRD4 O60885 1/20 0.39
MAPT P10636 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT1 Q99873 1/20 0.39
HSF1 Q00613 1/20 0.38
KCNH3 Q9ULD8 2/20 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
SCHEMBL9985073 0.87 BRD4 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19SIRT5
SCHEMBL9984076 0.86 CYP1A2 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SIRT5
SCHEMBL9983866 0.83 LMNA (0.49) KDM4EALDH1A1SIRT5BRD4MAPT
SCHEMBL9984796 0.83 NPC1 (0.54) ABCG2NAMPTALDH1A1BRD4MAPT
SCHEMBL9983890 0.81 MAPT (0.45) ABCG2NAMPTALDH1A1CYP1A2CYP2C9
SCHEMBL9984053 0.81 BRD4 (0.45) ABCG2MERTKALDH1A1CYP1A2CYP2C9
SCHEMBL9985560 0.81 EGFR (0.45) CYP2D6CYP2C9SIRT5BRD4MAPT
SCHEMBL9984237 0.79 HSF1 (0.57) ABCG2ABCB1MERTKCYP1A2CYP2C9
SCHEMBL9983976 0.79 MAPT (0.57) ABCB1KDM4EALDH1A1MAPT
SCHEMBL9984048 0.79 MAPT (0.45) ABCG2ALDH1A1CYP1A2SIRT5BRD4

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 4 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
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

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 ABCG2 3694/4885ABCB1 3301/4885MERTK 2948/4885

“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.