SCHEMBL968349

SCHEMBL968349

CCOc1nc(N)nc(NC(=O)[C@H](COCc2ccccc2)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 8/20 0.41
▸ MAPK9 P45984 7/20 0.41
▸ RPS27 P42677 4/20 0.41
▸ MAPK10 P53779 2/20 0.40
▸ PPIA P62937 1/20 0.39
▸ CTSL P07711 2/20 0.38
▸ CTSB P07858 2/20 0.38
▸ CTSS P25774 2/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ PRKD3 O94806 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ PIK3R2 O00459 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL12947053 0.94 MAPK8 (0.41) MAPK8MAPK9RPS27MAPK10PPIA
SCHEMBL3460790 0.90 MAPK8 (0.41) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL965756 0.88 MAPK8 (0.41) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL965909 0.88 KMT2A (0.42) PPIACTSLCTSBCTSSPSMB5
SCHEMBL3460097 0.86 MAPK8 (0.40) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL968116 0.85 MAPK8 (0.39) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL3461155 0.85 MAPK8 (0.44) MAPK8MAPK9RPS27MAPK10CTSL
SCHEMBL963869 0.84 MAPK8 (0.39) MAPK8MAPK9RPS27MAPK10PRKD3
SCHEMBL12946904 0.84 MAPK8 (0.43) MAPK8MAPK9RPS27MAPK10CTSL
SCHEMBL12947088 0.84 SMN1; SMN2 (0.41) MAPK8MAPK9MAPK10PRKD3RXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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 193/4885RPS27 641/4885

“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.

Send feedback