SCHEMBL13680229

SCHEMBL13680229

COCCOc1cc(N)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
GAA P10253 5/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 5/20 0.40
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 3/20 0.38
HSD17B10 Q99714 1/20 0.38
BRAF P15056 2/20 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
Hydrochloric Acid SCHEMBL17393004 0.98 AR (0.42) ARGAAPOLBTSHRGLA
SCHEMBL2793455 0.87 GAA (0.46) ARGAAPOLBTSHRGLA
SCHEMBL19411072 0.82 GAA (0.38) ARGAAPOLBTSHRGLA
SCHEMBL4371624 0.81 UTS2R (0.47) GAAPOLBTSHRGLAKDM4E
SCHEMBL29835019 0.81 ALDH1A1 (0.49) GAAPOLBTSHRHTTKDM4E
SCHEMBL11228216 0.81 ALDH1A1 (0.49) GAAPOLBTSHRHTTKDM4E
SCHEMBL17393039 0.81 S1PR4 (0.44) ARHTTKDM4EKMT2AALDH1A1
SCHEMBL1013276 0.79 GAA (0.50) ARGAAPOLBTSHRGLA
SCHEMBL29736247 0.79 ALDH1A1 (0.55) GAAPOLBTSHRHTTKDM4E
SCHEMBL4061067 0.79 ALDH1A1 (0.55) GAAPOLBTSHRHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3928779-B1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-03-06 EP disclosed
EP-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
US-9499553-B2 Dihydropyridazine-3,5-dione derivative and pharmaceuticals containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-22 US disclosed
US-9499553-B2 Dihydropyridazine-3,5-dione derivative and pharmaceuticals containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-22 US disclosed
EP-2975030-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-01-20 EP disclosed
US-20160002251-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-07 US disclosed
US-20160002251-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-07 US disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 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 (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-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF AR 3134/4885GAA 2536/4885POLB 2074/4885
US-20160002251-A1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME SLC9A5, SLC5A2, SLC5A1 AR 2229/4885GAA 1310/4885POLB 3804/4885

“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.