SCHEMBL3755319

SCHEMBL3755319

CN(C)CC(=O)Nc1cccc(Nc2nccc(-c3c(Cl)nc4ccccn34)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.57
CCNE1 P24864 5/20 0.51
CDK4 P11802 3/20 0.51
IGF1R P08069 8/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
PRKD3 O94806 1/20 0.49
LCK P06239 1/20 0.49
CSF1R P07333 1/20 0.49
ROS1 P08922 1/20 0.49
KIT P10721 1/20 0.49
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
FLT1 P17948 1/20 0.49
FGFR3 P22607 1/20 0.49
MARK3 P27448 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
SYK P43405 1/20 0.49
CLK2 P49760 1/20 0.49

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
SCHEMBL3756899 0.92 CDK2 (0.57) CDK2CCNE1CDK4IGF1RPLK4
SCHEMBL3757040 0.86 IGF1R (0.55) CDK2CCNE1CDK4IGF1RPRKD3
SCHEMBL1788971 0.84 EGFR (0.62) IGF1RLCKCSF1RKDRCDK19
SCHEMBL3760452 0.82 CDK19 (0.65) CDK2CCNE1CDK4IGF1RPRKD3
SCHEMBL1789466 0.82 IGF1R (0.71) IGF1RPRKD3LCKCSF1RROS1
SCHEMBL3755334 0.81 CDK19 (0.70) CDK2CCNE1CDK4IGF1RPLK4
SCHEMBL1786908 0.81 IGF1R (0.55) IGF1RLCKCSF1RSRCFLT1
SCHEMBL1786867 0.81 IGF1R (0.59) IGF1RPRKD3LCKCSF1RROS1
SCHEMBL3759854 0.80 CDK2 (0.59) CDK2CCNE1CDK4IGF1RPLK4
SCHEMBL3760568 0.79 CDK2 (0.74) CDK2CCNE1CDK4IGF1RPLK4

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 6 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
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
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US 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 (2 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 CDK2 2/4885CCNE1 29/4885CDK4 21/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 CDK2 3/4885CCNE1 49/4885CDK4 33/4885

“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.