SCHEMBL1466983

SCHEMBL1466983

COC(=O)Nc1nc2cc(C(=O)c3ccccc3C(=O)OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 0.86
▸ BRAF P15056 6/20 0.86
▸ LMNA P02545 3/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ KDR P35968 2/20 0.56
▸ ABL1 P00519 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ TUBB4A P04350 3/20 0.50
▸ TUBB P07437 3/20 0.50
▸ TUBA3C P0DPH7 3/20 0.50
▸ TUBA1B P68363 3/20 0.50
▸ TUBA4A P68366 3/20 0.50
▸ TUBB4B P68371 3/20 0.50
▸ TUBB3 Q13509 3/20 0.50
▸ TUBB2A Q13885 3/20 0.50

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
SCHEMBL20525774 0.90 RAF1 (0.86) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL1466710 0.88 RAF1 (0.66) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL1467094 0.86 RAF1 (0.65) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL1466448 0.86 RAF1 (0.67) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL5391813 0.84 RAF1 (0.62) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL1791967 0.82 RAF1 (0.73) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL20525588 0.82 RAF1 (0.85) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL30951561 0.81 LMNA (0.61) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL15640909 0.81 RAF1 (0.58) RAF1BRAFLMNACYP1A2ALDH1A1
Mebendazole SCHEMBL3429179 0.81 ABL1 (0.82) RAF1BRAFLMNACYP1A2ALDH1A1

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 18 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-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 — — US claimed
US-20110071145-A1 Raf Modulators And Methods Of Use EXELIXIS, INC. (US) 2011-03-24 — — US 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
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 — — EP disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 — — 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
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 — — US 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
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 — — EP disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 — — US disclosed
US-20110071145-A1 Raf Modulators And Methods Of Use EXELIXIS, INC. (US) 2011-03-24 — — US disclosed
US-7846959-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2010-12-07 — — US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 — — US disclosed
US-20080009488-A1 Raf Modulators and Methods of Use EXELIXIS, INC. (US) 2008-01-10 — — US disclosed
EP-1751124-A2 RAF MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 — — EP disclosed
WO-2005112932-A2 RAF MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-01 — — 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 (3 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 1/4885LMNA 3583/4885
US-20110071145-A1 Raf Modulators And Methods Of Use BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885LMNA 2371/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS RAF1 10/4885BRAF 1/4885LMNA 3235/4885

“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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