SCHEMBL11919088

SCHEMBL11919088

CCc1nc(-c2cccc(C(F)(F)F)c2)no1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.57
▸ S1PR1 P21453 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ TP53 P04637 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ FFAR1 O14842 2/20 0.53
▸ CASP3 P42574 1/20 0.52
▸ ALOX15 P16050 1/20 0.50
▸ S1PR5 Q9H228 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL12449563 0.87 MAPT (0.53) NR1H4S1PR1NPC1RAB9ATP53
SCHEMBL2245424 0.86 S1PR1 (0.57) NR1H4S1PR1NPSR1NPC1RAB9A
SCHEMBL30566776 0.86 S1PR1 (0.57) NR1H4S1PR1NPSR1NPC1RAB9A
SCHEMBL15219436 0.81 L3MBTL1 (0.70) NR1H4S1PR1NPSR1NPC1RAB9A
SCHEMBL24092055 0.81 TP53 (0.52) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL4251653 0.80 MAPT (0.45) S1PR1NPSR1NPC1RAB9ATP53
SCHEMBL27218664 0.79 TP53 (0.57) NR1H4S1PR1NPSR1NPC1RAB9A
SCHEMBL14873253 0.79 L3MBTL1 (0.53) NR1H4S1PR1NPC1RAB9ATP53
SCHEMBL12866 0.79 RAB9A (0.69) S1PR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL13675222 0.79 RAB9A (0.57) NPC1RAB9ATP53SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 — — 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 NR1H4 3066/4885S1PR1 1941/4885NPSR1 2139/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 NR1H4 3583/4885S1PR1 2988/4885NPSR1 3531/4885

“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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