SCHEMBL1467043

SCHEMBL1467043

CCOC(=O)Nc1nc2cc(C(=O)c3ccccc3C(=O)OCc3ccccc3)ccc2o1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 3/20 0.86
▸ BRAF P15056 3/20 0.86
▸ RAB9A P51151 6/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.43
▸ IL6 P05231 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ ALDH1A1 P00352 8/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 3/20 0.42
▸ TSHR P16473 2/20 0.42

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
SCHEMBL3021481 0.88 RAF1 (0.67) RAF1BRAFRAB9ANPC1SMN1; SMN2
SCHEMBL4564390 0.83 RAF1 (0.61) RAF1BRAFRAB9ANPC1SMN1; SMN2
SCHEMBL14097676 0.76 SMN1; SMN2 (0.58) RAF1BRAFRAB9ANPC1SMN1; SMN2
SCHEMBL4564389 0.73 RAF1 (0.49) RAF1BRAFRAB9ANPC1SMN1; SMN2
SCHEMBL1466983 0.72 RAF1 (0.86) RAF1BRAFNPC1TP53ALDH1A1
SCHEMBL12981719 0.70 RAF1 (0.72) RAF1BRAFRAB9ASMN1; SMN2ALDH1A1
SCHEMBL660947 0.69 TSHR (0.75) RAB9ANPC1ALDH1A1NPSR1L3MBTL1
SCHEMBL27334977 0.69 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HDAC6ALDH1A1
SCHEMBL3634188 0.68 ALDH1A1 (0.80) RAF1BRAFRAB9AALDH1A1NPSR1
Diethyl Phthalate SCHEMBL3947218 0.67 TDP1 (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1

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 1/4885RAB9A 1147/4885
US-20110071145-A1 Raf Modulators And Methods Of Use BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885RAB9A 930/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS RAF1 10/4885BRAF 1/4885RAB9A 1196/4885

“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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