SCHEMBL5353883

SCHEMBL5353883

O=C(Nc1ncc(-c2ccccc2)s1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
CDK5 Q00535 2/20 0.53
GSTO1 P78417 1/20 0.50
SCD O00767 1/20 0.49
ACP1 P24666 1/20 0.47
CNR1 P21554 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.45
THRB P10828 1/20 0.45
MAPK9 P45984 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL6906491 0.87 MAPT (0.43) KDRCCNE1CDK2CDK5GSTO1
SCHEMBL13453223 0.87 CCNE1 (0.67) KDRCCNE1CDK2CDK5GSTO1
SCHEMBL6282681 0.81 CNR1 (0.70) KDRCCNE1CDK2CDK5GSTO1
SCHEMBL24232850 0.80 CSNK2A2 (0.64) KDRCCNE1CDK2CDK5GSTO1
SCHEMBL24232863 0.80 CCNE1 (0.62) KDRCCNE1CDK2CDK5GSTO1
SCHEMBL14018636 0.79 CCNE1 (0.58) KDRCCNE1CDK2CDK5GSTO1
SCHEMBL30924972 0.78 MEN1 (0.64) CCNE1CDK2CDK5MAPTMEN1
SCHEMBL17731768 0.78 MGLL (0.44) CCNE1CDK2CDK5MAPTMEN1
SCHEMBL27930246 0.78 XDH (0.45) KDRMAPTMEN1KMT2ACYP2C19
SCHEMBL20379651 0.77 KDR (0.68) KDRMAPTMEN1KMT2ACYP2C9

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-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20040192926-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-09-30 US disclosed
WO-2003015778-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed
WO-2003015717-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-27 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 (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-20040192926-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CCNE1 1131/4885CDK2 89/4885

“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.