SCHEMBL1791971

SCHEMBL1791971

COc1cccc(NC(=O)c2ccccc2C(=O)c2ccc3nc(NC(=O)O)[nH]c3c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 5/20 0.64
▸ BRAF P15056 5/20 0.64
▸ TUBB4A P04350 1/20 0.55
▸ TUBB P07437 1/20 0.55
▸ TUBA3C P0DPH7 1/20 0.55
▸ TUBA1B P68363 1/20 0.55
▸ TUBA4A P68366 1/20 0.55
▸ TUBB4B P68371 1/20 0.55
▸ TUBB3 Q13509 1/20 0.55
▸ TUBB2A Q13885 1/20 0.55
▸ TUBB8 Q3ZCM7 1/20 0.55
▸ TUBA3E Q6PEY2 1/20 0.55
▸ TUBA1A Q71U36 1/20 0.55
▸ TUBA1C Q9BQE3 1/20 0.55
▸ TUBB6 Q9BUF5 1/20 0.55
▸ TUBB2B Q9BVA1 1/20 0.55
▸ TUBB1 Q9H4B7 1/20 0.55
▸ KDR P35968 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.54

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
SCHEMBL20525779 0.93 RAF1 (0.72) RAF1BRAFTUBB4ATUBBTUBA3C
SCHEMBL2357955 0.89 RAF1 (0.63) RAF1BRAFKDRALDH1A1LMNA
SCHEMBL3474868 0.86 RAF1 (0.60) RAF1BRAFKDRALDH1A1LMNA
SCHEMBL3475822 0.86 RAF1 (0.59) RAF1BRAFKDRALDH1A1LMNA
SCHEMBL3473662 0.86 RAF1 (0.59) RAF1BRAFTUBB4ATUBBTUBA3C
SCHEMBL3471881 0.86 RAF1 (0.59) RAF1BRAFKDRALDH1A1LMNA
SCHEMBL2356348 0.86 RAF1 (0.59) RAF1BRAFKDRALDH1A1LMNA
SCHEMBL1791715 0.85 RAF1 (0.59) RAF1BRAFTUBB4ATUBBTUBA3C
SCHEMBL1469050 0.85 RAF1 (0.52) RAF1BRAFTUBB4ATUBBTUBA3C
SCHEMBL20525713 0.84 RAF1 (0.73) RAF1BRAFTUBB4ATUBBTUBA3C

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 16 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
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 — — EP 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
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 — — WO 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 1/4885TUBB4A 2796/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K RAF1 63/4885BRAF 81/4885TUBB4A 794/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K RAF1 32/4885BRAF 156/4885TUBB4A 999/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS RAF1 10/4885BRAF 1/4885TUBB4A 2800/4885

“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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