SCHEMBL2237387

SCHEMBL2237387

N#Cc1c(NN)cncc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
IKBKB O14920 1/20 0.44
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ALDH1A1 P00352 3/20 0.38
DHODH Q02127 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
MET P08581 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KDM1A O60341 2/20 0.36
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL2235616 0.80 MEN1 (0.47) KDRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29211172 0.69 MYC (0.49) KDRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL2981682 0.67 CYP11B1 (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL3117627 0.67 IKBKB (0.47) KDRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4469939 0.67 PRKCZ (0.50) KDRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4482253 0.67 IKBKB (0.47) KDRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1703147 0.66 KDM4E (0.45) KDRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6252188 0.66 IKBKB (0.67) KDRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9349737 0.65 VCAM1 (0.58) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL420689 0.65 CYP11B1 (0.47) IKBKBMAPTALDH1A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008322-B2 Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA S.A. (FR) 2011-08-30 US disclosed
US-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A.. (FR) 2011-08-04 US disclosed
EP-1845978-B1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA SA (FR) 2010-08-18 EP disclosed
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2008-02-14 US disclosed
EP-1845978-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-24 EP disclosed
WO-2006077319-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-07-27 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-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 KDR 2947/4885MEN1 2411/4885KMT2A 3981/4885
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 KDR 2947/4885MEN1 2411/4885KMT2A 3981/4885

“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.