SCHEMBL279479

SCHEMBL279479

CC(=O)c1cn(N)c(C#N)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
IKBKB O14920 1/20 0.35
NOS1 P29475 1/20 0.35
DYRK1A Q13627 1/20 0.35
NQO2 P16083 1/20 0.35
TSHR P16473 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
SCHEMBL275830 0.84 MAPT (0.55) ARMAPTSMN1; SMN2GAAHTT
SCHEMBL279373 0.83 AR (0.40) ARMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL15221816 0.80 AR (0.38) ARMAPTLMNAALDH1A1KMT2A
SCHEMBL279476 0.72 MAPK1 (0.43) ARMAPK1MAPTLMNASMN1; SMN2
SCHEMBL279384 0.67 KMT2A (0.41) ARMAPK1MAPTLMNASMN1; SMN2
SCHEMBL26687977 0.65 VCAM1 (0.57) MAPK1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL279598 0.65 TSHR (0.44) ARMAPK1MAPTLMNASMN1; SMN2
SCHEMBL6438984 0.64 MAPK1 (0.53) ARMAPK1MAPTLMNASMN1; SMN2
SCHEMBL28346773 0.63 ALDH1A1 (0.40) ARMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6703081 0.63 MAPK1 (0.88) MAPK1MAPTLMNASMN1; SMN2ALDH1A1

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 AR 4178/4885MAPK1 2482/4885MAPT 1376/4885

“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.