SCHEMBL3765282

SCHEMBL3765282

COc1cc(NCC(C)(C)O)ccc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.47
IGF1R P08069 5/20 0.44
CDK4 P11802 3/20 0.44
CCNE1 P24864 2/20 0.44
INSR P06213 7/20 0.42
EGFR P00533 6/20 0.42
ERBB2 P04626 6/20 0.42
CDK1 P06493 1/20 0.41
TTK P33981 1/20 0.40

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
SCHEMBL3760525 0.87 IGF1R (0.44) CDK2IGF1RCDK4CCNE1INSR
SCHEMBL3761151 0.84 CDK2 (0.56) CDK2IGF1RCDK4CCNE1INSR
SCHEMBL3756701 0.83 INSR (0.47) IGF1RINSREGFRERBB2
SCHEMBL3762013 0.81 CDK2 (0.62) CDK2IGF1RCDK4CCNE1EGFR
SCHEMBL3765209 0.81 CDK2 (0.52) CDK2IGF1RCDK4CCNE1INSR
SCHEMBL3756635 0.80 EGFR (0.53) CDK2IGF1RCDK4CCNE1INSR
SCHEMBL3762829 0.79 IGF1R (0.44) IGF1RINSREGFRERBB2
SCHEMBL3759789 0.77 IGF1R (0.58) IGF1RINSREGFRERBB2
SCHEMBL3759773 0.76 IGF1R (0.63) IGF1RINSREGFRERBB2TTK
SCHEMBL3764899 0.76 IGF1R (0.63) CDK2IGF1RINSREGFR

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-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 US 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 (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 2/4885IGF1R 1/4885CDK4 21/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 CDK2 3/4885IGF1R 1/4885CDK4 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.