SCHEMBL963869

SCHEMBL963869

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 10/20 0.39
▸ MAPK9 P45984 8/20 0.39
▸ PRKD3 O94806 2/20 0.39
▸ HDAC4 P56524 2/20 0.38
▸ MEF2D Q14814 2/20 0.38
▸ SYK P43405 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPK10 P53779 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ MAP4K2 Q12851 1/20 0.36
▸ PKN2 Q16513 1/20 0.36
▸ PRKD2 Q9BZL6 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ RPS27 P42677 3/20 0.36
▸ CTSK P43235 1/20 0.35

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
SCHEMBL968116 0.98 MAPK8 (0.39) MAPK8MAPK9PRKD3HDAC4MEF2D
SCHEMBL963866 0.94 HDAC4 (0.41) MAPK8MAPK9PRKD3HDAC4MEF2D
SCHEMBL968114 0.92 HDAC4 (0.40) MAPK8MAPK9PRKD3HDAC4MEF2D
SCHEMBL965756 0.90 MAPK8 (0.41) MAPK8MAPK9PRKD3MEN1ALDH1A1
SCHEMBL968112 0.90 MAPK8 (0.37) MAPK8MAPK9PRKD3HDAC4MEF2D
SCHEMBL3460790 0.89 MAPK8 (0.41) MAPK8MAPK9PRKD3SYKMEN1
SCHEMBL3460097 0.88 MAPK8 (0.40) MAPK8MAPK9PRKD3SYKMEN1
SCHEMBL10181524 0.87 TRPV4 (0.46) MAPK8MAPK9MEN1KMT2ANPSR1
SCHEMBL3461155 0.86 MAPK8 (0.44) MAPK8MAPK9PRKD3MEN1ALDH1A1
SCHEMBL3459382 0.86 HPGD (0.44) HDAC4MEF2DSYKMEN1ALDH1A1

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 317/4885MAPK9 193/4885PRKD3 60/4885

“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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