SCHEMBL10327341

SCHEMBL10327341

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ TP53 P04637 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ MAPK8 P45983 3/20 0.39
▸ MAPK9 P45984 3/20 0.39
▸ PRKD3 O94806 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL3459514 0.94 MAPK8 (0.39) MAPTTP53RXFP1MAPK8MAPK9
SCHEMBL10181891 0.94 MEN1 (0.41) MAPTTP53RXFP1MAPK8MAPK9
SCHEMBL966250 0.92 MAPT (0.39) MAPTTP53RXFP1MAPK8MAPK9
SCHEMBL12947010 0.92 MAPT (0.39) MAPTTP53RXFP1MAPK8MAPK9
SCHEMBL12947088 0.91 SMN1; SMN2 (0.41) MAPTRXFP1MAPK8MAPK9PRKD3
SCHEMBL968114 0.91 HDAC4 (0.40) MAPTRXFP1MAPK8MAPK9PRKD3
SCHEMBL12947070 0.91 MAPK8 (0.40) RXFP1MAPK8MAPK9ALDH1A1KMT2A
SCHEMBL965753 0.91 MAPK8 (0.41) MAPTRXFP1MAPK8MAPK9PRKD3
SCHEMBL963866 0.90 HDAC4 (0.41) MAPTRXFP1MAPK8MAPK9PRKD3
SCHEMBL967914 0.89 MAPT (0.40) MAPTRXFP1MAPK8MAPK9PRKD3

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 6 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 disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — 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 MAPT 3812/4885TP53 1327/4885RXFP1 3233/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885TP53 1327/4885RXFP1 3233/4885

“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