SCHEMBL9970968

SCHEMBL9970968

CCc1ccc(F)c(C(=O)N(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
MTOR P42345 2/20 0.40
PIK3CA P42336 1/20 0.40
METAP2 P50579 1/20 0.39
PARP1 P09874 2/20 0.38
TRPA1 O75762 1/20 0.37
RIPK1 Q13546 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CXCR2 P25025 1/20 0.37
ALDH1A1 P00352 2/20 0.37
FGFR3 P22607 1/20 0.36
TP53 P04637 1/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL4475121 0.86 PIK3CA (0.41) ARMTORPIK3CATRPA1RIPK1
SCHEMBL11888130 0.80 METAP2 (0.51) METAP2PARP1TRPA1ALDH1A1
SCHEMBL4518804 0.79 ALDH1A1 (0.43) METAP2TRPA1CXCR2ALDH1A1TP53
SCHEMBL10208290 0.79 MAP2K2 (0.49) METAP2PARP1TRPA1ALDH1A1
SCHEMBL8566777 0.78 CES2 (0.61) ARRIPK1ALDH1A1ERN1
SCHEMBL31270828 0.78 CES2 (0.61) ARRIPK1ALDH1A1ERN1
SCHEMBL10202756 0.77 ALDH1A1 (0.51) METAP2PARP1ALDH1A1
SCHEMBL4518802 0.77 ALDH1A1 (0.41) TRPA1ALDH1A1
SCHEMBL14117285 0.77 TRPA1 (0.52) TRPA1ALDH1A1
SCHEMBL254680 0.77 HPGD (0.55) ARALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB AR 2773/4885MTOR 44/4885PIK3CA 1/4885

“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.