SCHEMBL3759876

SCHEMBL3759876

Clc1nc2ccccn2c1-c1ccnc(Nc2cnn(CCN3CCOCC3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 3/20 0.49
TBK1 Q9UHD2 3/20 0.49
CDK2 P24941 6/20 0.47
IGF1R P08069 3/20 0.46
CDK4 P11802 2/20 0.46
CCNE1 P24864 1/20 0.46
EGFR P00533 3/20 0.44
MKNK1 Q9BUB5 2/20 0.44
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
BTK Q06187 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 0.93 CDK2 (0.48) IKBKETBK1CDK2IGF1RCDK4
SCHEMBL3761671 0.92 CDK2 (0.48) IKBKETBK1CDK2IGF1RCDK4
SCHEMBL3755303 0.86 CDK2 (0.52) IKBKETBK1CDK2CDK4CCNE1
SCHEMBL3766961 0.83 CDK2 (0.52) CDK2IGF1RCDK4CCNE1EGFR
SCHEMBL3760297 0.83 CDK2 (0.59) CDK2IGF1RCDK4CCNE1KDR
SCHEMBL3772463 0.78 IGF1R (0.51) IKBKETBK1IGF1REGFRBTK
SCHEMBL3765211 0.77 CAMK2D (0.61) CDK2IGF1RCDK4CCNE1EGFR
SCHEMBL3762659 0.76 CDK2 (0.56) CDK2IGF1RCDK4CCNE1KDR
SCHEMBL3760568 0.76 CDK2 (0.74) CDK2IGF1RCDK4CCNE1EGFR
SCHEMBL3766749 0.76 CDK2 (0.53) CDK2IGF1RCDK4CCNE1EGFR

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 IKBKE 484/4885TBK1 1508/4885CDK2 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.