SCHEMBL279384

SCHEMBL279384

CC(=O)c1cn2ncnc(N)c2c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
XDH P47989 1/20 0.40
ADK P55263 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 4/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
LMNA P02545 1/20 0.37
FGFR1 P11362 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3612880 0.90 FGFR1 (0.44) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL941401 0.90 FGFR1 (0.44) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL13777092 0.89 MEN1 (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL3617265 0.88 MEN1 (0.39) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL3617366 0.86 SMN1; SMN2 (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL275481 0.85 MAPT (0.54) MAPTRAB9ASMN1; SMN2AR
SCHEMBL12909110 0.85 FGFR1 (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL13777091 0.83 MEN1 (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL279588 0.83 CYP3A4 (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL3624865 0.82 CSNK2A2 (0.44) KMT2AMEN1MAPTPIK3CDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US 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-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 KMT2A 1231/4885MEN1 4024/4885CYP1A2 2868/4885

“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.