SCHEMBL1792255

SCHEMBL1792255

O=C(O)Nc1nc2ccc(C(=O)c3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.57
▸ BRAF P15056 3/20 0.57
▸ RXFP1 Q9HBX9 12/20 0.53
▸ KDR P35968 1/20 0.49
▸ TEK Q02763 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ THRB P10828 1/20 0.49

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
SCHEMBL3471881 0.88 RAF1 (0.59) RAF1BRAFRXFP1KDRMAPT
SCHEMBL2357955 0.87 RAF1 (0.63) RAF1BRAFKDRMAPT
SCHEMBL3473662 0.86 RAF1 (0.59) RAF1BRAFKDRMAPT
SCHEMBL3475822 0.86 RAF1 (0.59) RAF1BRAFKDRTEKMAPT
SCHEMBL2356348 0.86 RAF1 (0.59) RAF1BRAFKDRTEKMAPT
SCHEMBL3474868 0.84 RAF1 (0.60) RAF1BRAFKDRTEKMAPT
SCHEMBL1469077 0.84 RXFP1 (0.49) RAF1BRAFRXFP1MAPTTHRB
SCHEMBL1791971 0.83 RAF1 (0.64) RAF1BRAFRXFP1KDRMAPT
SCHEMBL2297139 0.83 RAF1 (0.57) RAF1BRAFKDRMAPT
SCHEMBL2299280 0.83 RAF1 (0.57) RAF1BRAFRXFP1KDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 — — EP claimed
US-7846959-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2010-12-07 — — US claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 — — WO claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 — — US claimed
US-20080009488-A1 Raf Modulators and Methods of Use EXELIXIS, INC. (US) 2008-01-10 — — US claimed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 — — EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 — — EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 — — EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 — — US disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 — — US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 — — US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 — — US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 — — US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 — — 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 (4 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-20080009488-A1 Raf Modulators and Methods of Use BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885RXFP1 2962/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K RAF1 63/4885BRAF 81/4885RXFP1 4714/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K RAF1 32/4885BRAF 156/4885RXFP1 3886/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS RAF1 10/4885BRAF 1/4885RXFP1 3604/4885

“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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