SCHEMBL2462947

SCHEMBL2462947

O=[N+]([O-])c1cccc(Nc2ncnc(Cl)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.56
BCR P11274 3/20 0.56
PRKCA P17252 3/20 0.56
CDK2 P24941 7/20 0.55
EGFR P00533 4/20 0.55
CCNA2 P20248 3/20 0.55
CDK5 Q00535 2/20 0.55
CDK5R1 Q15078 2/20 0.55
SRC P12931 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
ROCK1 Q13464 1/20 0.51
CDK4 P11802 4/20 0.50
GSK3B P49841 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL5031319 0.86 NFKB1 (0.56) ABL1BCRPRKCACDK2EGFR
SCHEMBL30250678 0.84 ROCK1 (0.64) ABL1BCRPRKCACDK2EGFR
SCHEMBL13859262 0.78 ROCK1 (0.72) ABL1BCRPRKCACDK2EGFR
SCHEMBL2285411 0.78 ABL1 (0.69) ABL1BCRPRKCACDK2EGFR
SCHEMBL4947229 0.78 SYK (0.56) ABL1BCRPRKCACDK2EGFR
SCHEMBL16513305 0.77 PIN1 (0.56) ABL1BCRPRKCACDK2EGFR
SCHEMBL16010896 0.77 ALDH1A1 (0.65) ABL1BCRPRKCACDK2EGFR
SCHEMBL12482350 0.77 EGFR (0.61) EGFRABCG2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL2177348 0.76 EGFR (0.60) EGFRABCG2ALDH1A1KMT2AMEN1
SCHEMBL14062193 0.76 NFKB1 (0.46) EGFRKMT2AMEN1MAPTMAPK1

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
EP-2550257-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-12-21 EP disclosed
US-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 US disclosed
EP-2550257-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES Lead Discovery Center GmbH (DE) 2013-01-30 EP disclosed
WO-2011116951-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2011-09-29 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-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 ABL1 186/4885BCR 3061/4885PRKCA 98/4885

“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.