SCHEMBL967955

SCHEMBL967955

CSc1cc(NC(=O)CNc2cccc(C(F)(F)F)c2)nc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ LMNA P02545 6/20 0.44
▸ MAPT P10636 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ XBP1 P17861 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TSHR P16473 1/20 0.41

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
SCHEMBL967953 0.92 SMN1; SMN2 (0.48) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL3459310 0.84 GRK2 (0.49) GRK2ALDH1A1LMNAMAPTKMT2A
SCHEMBL12946779 0.80 CLK4 (0.40) —
SCHEMBL1007657 0.79 LMNA (0.56) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL3460011 0.79 GRK2 (0.44) GRK2ALDH1A1LMNAMAPTKMT2A
SCHEMBL12947018 0.78 SMN1; SMN2 (0.48) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL3459651 0.77 AKT1 (0.56) LMNAMAPTKMT2AKDM4EGAA
SCHEMBL968750 0.77 KMT2A (0.52) GRK2ALDH1A1LMNAMAPTKMT2A
SCHEMBL965312 0.77 GRK2 (0.47) GRK2ALDH1A1LMNAMAPTKMT2A
SCHEMBL965220 0.77 GRK2 (0.47) GRK2ALDH1A1LMNAMAPTKMT2A

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-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 GRK2 246/4885ALDH1A1 4491/4885LMNA 3817/4885

“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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