SCHEMBL965820

SCHEMBL965820

CCOc1nc(N)nc(OC(=O)[C@H](CCC(N)=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 11/20 0.38
▸ RPS27 P42677 4/20 0.38
▸ CTSK P43235 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAPK9 P45984 9/20 0.36
▸ PRKD3 O94806 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ AURKA O14965 2/20 0.36
▸ MAPK10 P53779 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL966093 0.88 KMT2A (0.44) CTSKKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL3459514 0.84 MAPK8 (0.39) MAPK8RPS27CTSKKCNH2MAPK9
SCHEMBL3459516 0.80 MAPK8 (0.41) MAPK8RPS27MAPK9PRKD3CYP1A2
SCHEMBL965756 0.79 MAPK8 (0.41) MAPK8RPS27CTSKKCNH2MAPK9
SCHEMBL963539 0.79 MAPK8 (0.39) MAPK8RPS27MAPK9PRKD3CYP1A2
SCHEMBL3460790 0.78 MAPK8 (0.41) MAPK8RPS27CTSKKCNH2MAPK9
SCHEMBL10181891 0.78 MEN1 (0.41) MAPK8RPS27CTSKKCNH2MAPK9
SCHEMBL10327341 0.78 MAPT (0.39) MAPK8CTSKKCNH2MAPK9PRKD3
SCHEMBL968116 0.78 MAPK8 (0.39) MAPK8RPS27CTSKKCNH2MAPK9
SCHEMBL963869 0.78 MAPK8 (0.39) MAPK8RPS27CTSKKCNH2MAPK9

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-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR MAPK8 317/4885RPS27 641/4885CTSK 785/4885

“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.

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