SCHEMBL11918972

SCHEMBL11918972

CCc1ccc(F)c(C(=O)Nc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPT P10636 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ F2R P25116 1/20 0.51
▸ PPARG P37231 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL24934209 0.81 F2R (0.67) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL21348671 0.81 KDM4E (0.53) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL15219450 0.80 MEN1 (0.58) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL23095470 0.80 GAA (0.53) TP53NPC1RAB9AALDH1A1MAPT
SCHEMBL17689588 0.78 PARP1 (0.47) TP53NPC1RAB9AKMT2AMAPT
SCHEMBL11888130 0.77 METAP2 (0.51) RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5786347 0.77 KAT6A (0.58) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL6812861 0.77 MEN1 (0.58) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL19203840 0.77 KCNK9 (0.55) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL8269644 0.76 GAA (0.61) TP53NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 — — 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 (3 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 TP53 1393/4885NPC1 3518/4885RAB9A 2280/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 TP53 765/4885NPC1 4114/4885RAB9A 1616/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TP53 685/4885NPC1 4413/4885RAB9A 2309/4885

“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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