SCHEMBL3761671

SCHEMBL3761671

Clc1nc2ccccn2c1-c1ccnc(Nc2cnn(CCN3CCCCC3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.48
CDK4 P11802 3/20 0.46
CCNE1 P24864 2/20 0.46
IKBKE Q14164 3/20 0.45
TBK1 Q9UHD2 3/20 0.45
IGF1R P08069 3/20 0.41
JAK2 O60674 4/20 0.41
JAK3 P52333 4/20 0.41
PTK2 Q05397 2/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
PRKD3 O94806 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
ROS1 P08922 1/20 0.41
KIT P10721 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41

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
SCHEMBL3765120 0.99 CDK2 (0.48) CDK2CDK4CCNE1IKBKETBK1
SCHEMBL3759876 0.92 IKBKE (0.49) CDK2CDK4CCNE1IKBKETBK1
SCHEMBL3755303 0.87 CDK2 (0.52) CDK2CDK4CCNE1IKBKETBK1
SCHEMBL3766961 0.84 CDK2 (0.52) CDK2CDK4CCNE1IGF1RJAK2
SCHEMBL3760297 0.83 CDK2 (0.59) CDK2CDK4CCNE1IGF1RJAK2
SCHEMBL3762659 0.82 CDK2 (0.56) CDK2CDK4CCNE1IGF1RJAK2
SCHEMBL3766513 0.80 CDK2 (0.55) CDK2CDK4CCNE1IGF1RJAK2
SCHEMBL3766823 0.79 AIMP2 (0.58) CDK2CDK4CCNE1IGF1RPLK4
SCHEMBL3763566 0.78 INSR (0.48) IKBKETBK1IGF1R
SCHEMBL3760568 0.77 CDK2 (0.74) CDK2CDK4CCNE1IGF1RPTK2

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 CDK2 2/4885CDK4 21/4885CCNE1 29/4885

“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.