SCHEMBL3762499

SCHEMBL3762499

CN(C)CCc1ccc(Nc2nccc(-c3c(Cl)nc4ccccn34)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK19 Q9BWU1 2/20 0.63
ALK Q9UM73 2/20 0.63
CDK2 P24941 9/20 0.60
CDK4 P11802 4/20 0.56
CCNE1 P24864 2/20 0.56
IGF1R P08069 3/20 0.53
CDK1 P06493 5/20 0.53
RET P07949 1/20 0.52
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
KDR P35968 3/20 0.44
WEE1 P30291 1/20 0.43
KCNH2 Q12809 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
SCHEMBL3765011 0.91 CDK19 (0.58) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3755334 0.90 CDK19 (0.70) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3762802 0.84 ALK (0.53) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3760568 0.83 CDK2 (0.74) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3762659 0.83 CDK2 (0.56) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3756899 0.82 CDK2 (0.57) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3766961 0.81 CDK2 (0.52) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3760761 0.81 CDK2 (0.66) CDK2CDK4CCNE1IGF1RCDK1
SCHEMBL3757034 0.79 CDK2 (0.66) CDK2CDK4CCNE1IGF1RCDK1
SCHEMBL1787518 0.78 CDK19 (0.72) CDK19ALKCDK2CCNE1IGF1R

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-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 CDK19 53/4885ALK 534/4885CDK2 2/4885

“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.