SCHEMBL16246161

SCHEMBL16246161

CC(C)(C)OC(=O)Nc1ccc(CCI)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.47
KCNQ4 P56696 4/20 0.46
KCNQ5 Q9NR82 4/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK14 Q16539 4/20 0.38
DRD2 P14416 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
AKT1 P31749 1/20 0.37

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
SCHEMBL16245955 0.88 CYP17A1 (0.48) CYP17A1KCNQ4KCNQ5MEN1KMT2A
SCHEMBL28207323 0.85 CYP17A1 (0.50) CYP17A1KCNQ4KCNQ5POLBMAPK14
SCHEMBL3832059 0.84 KCNQ4 (0.50) CYP17A1KCNQ4KCNQ5POLBRXFP1
SCHEMBL29468015 0.84 CYP17A1 (0.49) CYP17A1KCNQ4KCNQ5POLBRXFP1
SCHEMBL27772977 0.82 CYP17A1 (0.47) CYP17A1KCNQ4KCNQ5POLBMAPK14
SCHEMBL23637704 0.80 CYP17A1 (0.47) CYP17A1KCNQ4KCNQ5MAPK14
SCHEMBL478362 0.79 CYP17A1 (0.52) CYP17A1KCNQ4KCNQ5RAB9ARXFP1
SCHEMBL29659087 0.79 CYP17A1 (0.52) CYP17A1KCNQ4KCNQ5RAB9ARXFP1
SCHEMBL31347221 0.79 CYP17A1 (0.52) CYP17A1KCNQ4KCNQ5POLBRAB9A
SCHEMBL857284 0.79 HTT (0.55) CYP17A1KCNQ4KCNQ5POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994470-B1 PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2018-04-18 EP disclosed
US-9630963-B2 Quinolone derivatives as fibroblast growth factor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-04-25 US disclosed
US-20160130268-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-05-12 US disclosed
EP-2994470-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS Principia Biopharma Inc. (US) 2016-03-16 EP disclosed
WO-2014182829-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-11-13 WO 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-20160130268-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS FGFR1, FGFR3, FGFR2 CYP17A1 1380/4885KCNQ4 2655/4885KCNQ5 2245/4885

“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.