Sugi Predict

Sugi Predict / Compounds / SCHEMBL1781567

SCHEMBL1781567

SCHEMBL1781567

COc1ccc(NC(=O)O)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ MAPT P10636 8/20 0.52
▸ LMNA P02545 5/20 0.52
▸ GAA P10253 2/20 0.52
▸ S1PR1 P21453 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ ABCB1 P08183 1/20 0.49
▸ ABCC1 P33527 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ NPY2R P49146 1/20 0.48
▸ BRAF P15056 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.46
▸ THRB P10828 1/20 0.46

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
SCHEMBL7751896 0.88 ALDH1A1 (0.56) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL13881965 0.86 CYP2C9 (0.75) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL6497413 0.86 CYP2C9 (0.57) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL16946690 0.85 S1PR1 (0.56) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL5404961 0.85 CYP2C9 (0.60) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL5494349 0.84 MAPT (0.65) CYP2C9CYP2C19MAPTLMNAGAA
SCHEMBL11721130 0.84 TP53 (0.54) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL10586729 0.82 MAPT (0.55) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL30230722 0.82 TGM2 (0.54) CYP2C9CYP2C19CYP1A2MAPTLMNA
SCHEMBL14499383 0.82 GAA (0.54) CYP2C9CYP2C19CYP1A2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 — — US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 — — 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-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 — — US disclosed
US-9320739-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-04-26 — — 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
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-09-03 — — US disclosed
EP-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 — — EP disclosed
US-8969587-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-03-03 — — US disclosed
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 — — US disclosed
US-8618289-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-12-31 — — US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 — — US disclosed
EP-0093620-B1 FUNGICIDAL N-PHENYLCARBAMATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-01-07 — — EP 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 (6 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF CYP2C9 4775/4885CYP2C19 4728/4885CYP1A2 4571/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP2C9 4089/4885CYP2C19 4561/4885CYP1A2 4399/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP2C9 4775/4885CYP2C19 4728/4885CYP1A2 4571/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP2C9 4775/4885CYP2C19 4728/4885CYP1A2 4571/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP2C9 4775/4885CYP2C19 4728/4885CYP1A2 4571/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP2C9 4775/4885CYP2C19 4728/4885CYP1A2 4571/4885

“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.