SCHEMBL3760041

SCHEMBL3760041

Nc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccccc3)n2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.56
ERBB2 P04626 2/20 0.56
CDK2 P24941 5/20 0.54
CDK4 P11802 2/20 0.54
CCNE1 P24864 2/20 0.54
IGF1R P08069 6/20 0.49
BRAF P15056 3/20 0.49
CDK19 Q9BWU1 2/20 0.48
ALK Q9UM73 2/20 0.48
INSR P06213 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3766261 0.87 CDK2 (0.62) EGFRERBB2CDK2CDK4CCNE1
SCHEMBL3727487 0.86 CDK19 (0.69) EGFRERBB2CDK2IGF1RBRAF
SCHEMBL3765295 0.75 CDK2 (0.56) EGFRERBB2CDK2CDK4CCNE1
SCHEMBL3762101 0.74 CDK2 (0.55) EGFRERBB2CDK2CDK4CCNE1
SCHEMBL12609813 0.74 RAB9A (0.66) EGFRERBB2CDK2CDK4IGF1R
SCHEMBL3716771 0.73 CDK19 (0.66) CDK2CDK4CCNE1IGF1RBRAF
SCHEMBL3764976 0.73 CDK19 (0.76) EGFRERBB2CDK2CDK4CCNE1
SCHEMBL3769673 0.72 CDK2 (0.54) EGFRERBB2CDK2CDK4CCNE1
SCHEMBL3760568 0.71 CDK2 (0.74) EGFRCDK2CDK4CCNE1IGF1R
SCHEMBL3306130 0.71 JAK2 (0.46) MEN1ALDH1A1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 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-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 EGFR 249/4885ERBB2 99/4885CDK2 3/4885

“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.