SCHEMBL3759789

SCHEMBL3759789

COc1cc(N2CCSCC2)ccc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.58
INSR P06213 7/20 0.57
EGFR P00533 8/20 0.54
ERBB2 P04626 7/20 0.54
KCNH2 Q12809 2/20 0.51
MAPK14 Q16539 1/20 0.51

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
SCHEMBL3761576 0.93 IGF1R (0.51) IGF1RINSREGFRERBB2KCNH2
SCHEMBL3759773 0.91 IGF1R (0.63) IGF1RINSREGFRERBB2KCNH2
SCHEMBL3760432 0.90 IGF1R (0.55) IGF1RINSREGFRERBB2MAPK14
SCHEMBL3755497 0.87 IGF1R (0.66) IGF1RINSREGFRERBB2MAPK14
SCHEMBL3761151 0.85 CDK2 (0.56) IGF1RINSREGFRERBB2
SCHEMBL3761539 0.84 IGF1R (0.63) IGF1RINSREGFRERBB2KCNH2
SCHEMBL3762013 0.83 CDK2 (0.62) IGF1REGFR
SCHEMBL3765209 0.82 CDK2 (0.52) IGF1RINSREGFRERBB2
SCHEMBL3772445 0.82 IGF1R (0.59) IGF1RINSREGFRERBB2MAPK14
SCHEMBL3759327 0.79 CDK2 (0.49) IGF1RINSREGFRERBB2

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 IGF1R 1/4885INSR 37/4885EGFR 328/4885

“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.