SCHEMBL965220

SCHEMBL965220

CSc1nc(N)nc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1/C=N/O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.47
▸ MAPT P10636 7/20 0.44
▸ XBP1 P17861 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 5/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ PKM P14618 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
SCHEMBL965312 0.94 GRK2 (0.47) GRK2MAPTXBP1MAPK1NPSR1
SCHEMBL965219 0.94 ALDH1A1 (0.47) GRK2MAPTXBP1MAPK1NPSR1
SCHEMBL967167 0.94 ALDH1A1 (0.47) GRK2MAPTXBP1MAPK1NPSR1
SCHEMBL967168 0.94 ALDH1A1 (0.47) GRK2MAPTXBP1MAPK1NPSR1
SCHEMBL3460011 0.91 GRK2 (0.44) GRK2MAPTXBP1MAPK1NPSR1
SCHEMBL965311 0.88 ALDH1A1 (0.44) GRK2MAPTXBP1MAPK1NPSR1
SCHEMBL965578 0.88 ALDH1A1 (0.44) GRK2MAPTXBP1MAPK1NPSR1
SCHEMBL965577 0.88 ALDH1A1 (0.44) GRK2MAPTXBP1MAPK1NPSR1
SCHEMBL5140915 0.85 LMNA (0.47) GRK2MAPTXBP1MAPK1NPSR1
SCHEMBL5140916 0.85 LMNA (0.47) GRK2MAPTXBP1MAPK1NPSR1

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 246/4885MAPT 3812/4885XBP1 914/4885

“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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