SCHEMBL3766261

SCHEMBL3766261

Nc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccccc3)n2)cc1N

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.62
CDK4 P11802 2/20 0.62
CCNE1 P24864 2/20 0.62
IGF1R P08069 6/20 0.53
CDK19 Q9BWU1 2/20 0.53
ALK Q9UM73 2/20 0.53
BRAF P15056 3/20 0.52
EGFR P00533 2/20 0.49
ERBB2 P04626 2/20 0.49
INSR P06213 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL3760041 0.87 EGFR (0.56) CDK2CDK4CCNE1IGF1RCDK19
SCHEMBL3764976 0.85 CDK19 (0.76) CDK2CDK4CCNE1IGF1RCDK19
SCHEMBL3765295 0.81 CDK2 (0.56) CDK2CDK4CCNE1IGF1RCDK19
SCHEMBL3762101 0.80 CDK2 (0.55) CDK2CDK4CCNE1IGF1RCDK19
SCHEMBL3716771 0.79 CDK19 (0.66) CDK2CDK4CCNE1IGF1RCDK19
SCHEMBL3769673 0.78 CDK2 (0.54) CDK2CDK4CCNE1IGF1RCDK19
SCHEMBL3760568 0.77 CDK2 (0.74) CDK2CDK4CCNE1IGF1RCDK19
SCHEMBL3769666 0.75 BACE1 (0.51) CDK2CDK4CCNE1IGF1RCDK19
SCHEMBL3727487 0.75 CDK19 (0.69) CDK2IGF1RCDK19ALKBRAF
SCHEMBL3725893 0.74 CDK19 (0.59) CDK2CDK4CCNE1IGF1RCDK19

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 CDK2 3/4885CDK4 33/4885CCNE1 49/4885

“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.