SCHEMBL5568629

SCHEMBL5568629

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 12/20 0.42
▸ RPS27 P42677 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK9 P45984 10/20 0.38
▸ MAPK10 P53779 3/20 0.38
▸ PRKD3 O94806 2/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ NPY1R P25929 1/20 0.37

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
SCHEMBL964431 0.92 MAPK8 (0.41) MAPK8RPS27ALDH1A1MEN1POLB
SCHEMBL5568737 0.92 MAPK8 (0.41) MAPK8RPS27ALDH1A1MEN1POLB
SCHEMBL963537 0.90 MAPK8 (0.40) MAPK8RPS27ALDH1A1MEN1POLB
SCHEMBL5568821 0.90 MAPK8 (0.40) MAPK8RPS27ALDH1A1MEN1POLB
SCHEMBL964167 0.90 MAPK8 (0.39) MAPK8RPS27ALDH1A1MEN1POLB
SCHEMBL5569188 0.88 MAPK8 (0.41) MAPK8RPS27ALDH1A1MEN1POLB
SCHEMBL963538 0.87 MAPK8 (0.40) MAPK8RPS27ALDH1A1MEN1POLB
SCHEMBL964888 0.87 MAPK8 (0.37) MAPK8RPS27ALDH1A1MEN1POLB
SCHEMBL10181137 0.86 MAPK8 (0.45) MAPK8MEN1KMT2ANPSR1MAPK9
SCHEMBL10182156 0.84 TRPV4 (0.45) MAPK8MEN1KMT2ANPSR1MAPK9

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 3 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-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 (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-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MAPK8 317/4885RPS27 641/4885ALDH1A1 4491/4885

“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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