SCHEMBL1467094

SCHEMBL1467094

COC(=O)Nc1nc2cc(C(=O)c3ccccc3C(=O)Cc3ccccc3)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 5/20 0.65
▸ BRAF P15056 5/20 0.65
▸ ALDH1A1 P00352 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ KDR P35968 2/20 0.58
▸ ABL1 P00519 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ HIF1A Q16665 2/20 0.58
▸ ABCC4 O15439 1/20 0.58
▸ USP2 O75604 1/20 0.58
▸ MAPK1 P28482 3/20 0.49
▸ TUBB4A P04350 3/20 0.49
▸ TUBB P07437 3/20 0.49
▸ TUBA3C P0DPH7 3/20 0.49
▸ TUBA1B P68363 3/20 0.49
▸ TUBA4A P68366 3/20 0.49
▸ TUBB4B P68371 3/20 0.49
▸ TUBB3 Q13509 3/20 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
SCHEMBL1466448 0.87 RAF1 (0.67) RAF1BRAFALDH1A1LMNACYP1A2
SCHEMBL1466983 0.86 RAF1 (0.86) RAF1BRAFALDH1A1LMNACYP1A2
SCHEMBL1466710 0.85 RAF1 (0.66) RAF1BRAFALDH1A1LMNACYP1A2
SCHEMBL20525774 0.83 RAF1 (0.86) RAF1BRAFALDH1A1LMNACYP1A2
SCHEMBL30951561 0.83 LMNA (0.61) RAF1BRAFALDH1A1LMNACYP1A2
SCHEMBL15640909 0.83 RAF1 (0.58) RAF1BRAFALDH1A1LMNACYP1A2
Mebendazole SCHEMBL3429179 0.83 ABL1 (0.82) RAF1BRAFALDH1A1LMNACYP1A2
Mebendazole SCHEMBL15860 0.83 ABL1 (0.82) RAF1BRAFALDH1A1LMNACYP1A2
Mebendazole SCHEMBL29409261 0.83 ABL1 (0.82) RAF1BRAFALDH1A1LMNACYP1A2
Mebendazole SCHEMBL21051200 0.82 ABL1 (0.80) RAF1BRAFALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 — — 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-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 (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-20080009488-A1 Raf Modulators and Methods of Use BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885ALDH1A1 2799/4885
US-20110071145-A1 Raf Modulators And Methods Of Use BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885ALDH1A1 2219/4885

“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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