SCHEMBL3756635

SCHEMBL3756635

COc1cc(N(C)CCO)ccc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.53
CDK2 P24941 5/20 0.48
IGF1R P08069 5/20 0.44
PLK1 P53350 1/20 0.43
INSR P06213 5/20 0.42
ERBB2 P04626 4/20 0.42
CDK4 P11802 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK1 P06493 1/20 0.42
KCNH2 Q12809 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
SCHEMBL3765209 0.90 CDK2 (0.52) EGFRCDK2IGF1RINSRERBB2
SCHEMBL3761151 0.84 CDK2 (0.56) EGFRCDK2IGF1RINSRERBB2
SCHEMBL3760802 0.84 CDK2 (0.47) EGFRCDK2IGF1RINSRCDK4
SCHEMBL3767735 0.82 CDK19 (0.47) EGFRIGF1RINSRERBB2
SCHEMBL3762013 0.82 CDK2 (0.62) EGFRCDK2IGF1RCDK4CCNE1
SCHEMBL3765282 0.80 CDK2 (0.47) EGFRCDK2IGF1RINSRERBB2
SCHEMBL3762802 0.79 ALK (0.53) EGFRCDK2IGF1RINSRERBB2
SCHEMBL3720310 0.79 CDK19 (0.44) EGFRIGF1RINSRERBB2
SCHEMBL3760432 0.78 IGF1R (0.55) EGFRIGF1RINSRERBB2
SCHEMBL3759789 0.78 IGF1R (0.58) EGFRIGF1RINSRERBB2KCNH2

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 8 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
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO 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
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 EGFR 328/4885CDK2 2/4885IGF1R 1/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 EGFR 249/4885CDK2 3/4885IGF1R 1/4885

“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.