SCHEMBL967985

SCHEMBL967985

CSc1ncc(C#N)c(NCC(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.46
▸ TP53 P04637 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KDR P35968 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42

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
SCHEMBL967987 0.93 MAPT (0.44) MAPTTP53SMN1; SMN2RXFP1ALDH1A1
SCHEMBL965836 0.79 AKT1 (0.50) MAPTSMN1; SMN2RXFP1ALDH1A1LMNA
SCHEMBL966531 0.77 MAPT (0.46) MAPTTP53SMN1; SMN2RXFP1ALDH1A1
SCHEMBL968748 0.77 KMT2A (0.57) MAPTTP53SMN1; SMN2RXFP1ALDH1A1
SCHEMBL3459621 0.76 MAPT (0.45) MAPTTP53SMN1; SMN2RXFP1ALDH1A1
SCHEMBL3459687 0.75 IDH2 (0.51) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL12947018 0.74 SMN1; SMN2 (0.48) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL10327506 0.73 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3459093 0.72 IDH2 (0.52) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL964028 0.72 LMNA (0.44) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A

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 8 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 claimed
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-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 1327/4885SMN1; SMN2 2850/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885TP53 1327/4885SMN1; SMN2 2850/4885

“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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