SCHEMBL1467656

SCHEMBL1467656

CN(C(=O)O)c1nc2ccc(C(=O)c3ccccc3C(=O)Nc3cccc(Br)c3F)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 5/20 0.47
▸ BRAF P15056 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KMT2A Q03164 1/20 0.42
▸ PTGES O14684 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ABL1 P00519 2/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KDR P35968 1/20 0.38

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
SCHEMBL1466545 0.90 RAF1 (0.47) RAF1BRAFALDH1A1MAPTCYP2C9
SCHEMBL1466528 0.90 RAF1 (0.47) RAF1BRAFALDH1A1MAPTCYP2C9
SCHEMBL1469056 0.88 RAF1 (0.45) RAF1BRAFALDH1A1MAPTCYP2C9
SCHEMBL1467343 0.88 RAF1 (0.45) RAF1BRAFALDH1A1MAPTCYP2C9
SCHEMBL1469078 0.87 RAF1 (0.45) RAF1BRAFALDH1A1MAPTCYP2C9
SCHEMBL1467948 0.86 MAPT (0.46) RAF1BRAFALDH1A1MAPTCYP2C9
SCHEMBL1468013 0.84 MAPT (0.50) RAF1BRAFALDH1A1MAPTCYP2C9
SCHEMBL1467142 0.84 RAF1 (0.45) RAF1BRAFALDH1A1MAPTCYP2C9
SCHEMBL2357595 0.84 RAF1 (0.56) RAF1BRAFALDH1A1MAPTCYP2C9
SCHEMBL1467172 0.83 NPSR1 (0.46) RAF1BRAFALDH1A1MAPTCYP2C9

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 5 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
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 — — EP disclosed
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 — — EP 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 (1 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-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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