SCHEMBL3759746

SCHEMBL3759746

Fc1ccc(Nc2nccc(-c3c(Cl)nc4ccccn34)n2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.56
CDK4 P11802 4/20 0.49
CCNE1 P24864 4/20 0.49
HDAC1 Q13547 2/20 0.47
IGF1R P08069 3/20 0.46
EGFR P00533 3/20 0.43
ERBB2 P04626 3/20 0.43
INSR P06213 2/20 0.41
PIK3CA P42336 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
SCHEMBL3760761 0.85 CDK2 (0.66) CDK2CDK4CCNE1IGF1R
SCHEMBL3762013 0.80 CDK2 (0.62) CDK2CDK4CCNE1IGF1REGFR
SCHEMBL3760568 0.80 CDK2 (0.74) CDK2CDK4CCNE1IGF1REGFR
SCHEMBL3761151 0.79 CDK2 (0.56) CDK2CDK4CCNE1IGF1REGFR
SCHEMBL3727213 0.78 CDK19 (0.54) IGF1REGFRERBB2
SCHEMBL12996153 0.77 CDK2 (0.58) CDK2CDK4CCNE1HDAC1
SCHEMBL3762805 0.76 CDK2 (0.58) CDK2CDK4CCNE1HDAC1IGF1R
SCHEMBL3765209 0.76 CDK2 (0.52) CDK2CDK4CCNE1IGF1REGFR
SCHEMBL3764181 0.76 BACE1 (0.51) IGF1REGFRERBB2INSR
SCHEMBL3720243 0.75 CDK2 (0.51) CDK2CDK4CCNE1

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 2/4885CDK4 21/4885CCNE1 29/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 CDK2 3/4885CDK4 33/4885CCNE1 49/4885

“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.