SCHEMBL963539

SCHEMBL963539

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 11/20 0.39
▸ RPS27 P42677 4/20 0.39
▸ MAPK9 P45984 8/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ PRKD3 O94806 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL966976 0.86 KMT2A (0.44) SMN1; SMN2KDM4EHTTTP53CYP1A2
SCHEMBL965820 0.79 MAPK8 (0.38) MAPK8RPS27MAPK9MAPK10SMN1; SMN2
SCHEMBL965756 0.78 MAPK8 (0.41) MAPK8RPS27MAPK9MAPK10SMN1; SMN2
SCHEMBL3460097 0.78 MAPK8 (0.40) MAPK8RPS27MAPK9MAPK10TP53
SCHEMBL3460790 0.78 MAPK8 (0.41) MAPK8RPS27MAPK9MAPK10SMN1; SMN2
SCHEMBL3461155 0.77 MAPK8 (0.44) MAPK8RPS27MAPK9MAPK10SMN1; SMN2
SCHEMBL968116 0.76 MAPK8 (0.39) MAPK8RPS27MAPK9MAPK10PRKD3
SCHEMBL963869 0.75 MAPK8 (0.39) MAPK8RPS27MAPK9MAPK10PRKD3
SCHEMBL968349 0.75 MAPK8 (0.41) MAPK8RPS27MAPK9MAPK10SMN1; SMN2
SCHEMBL965753 0.75 MAPK8 (0.41) MAPK8RPS27MAPK9MAPK10SMN1; SMN2

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
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US claimed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR MAPK8 317/4885RPS27 641/4885MAPK9 193/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MAPK8 317/4885RPS27 641/4885MAPK9 193/4885

“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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