SCHEMBL1466471

SCHEMBL1466471

CN(C(=O)O)c1nc2ccc(C(=O)c3ccccc3C(=O)Nc3cccc(I)c3)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 5/20 0.49
▸ BRAF P15056 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MCHR1 Q99705 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ NR2E3 Q9Y5X4 2/20 0.41
▸ CHEK2 O96017 1/20 0.40
▸ KDR P35968 3/20 0.40

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
SCHEMBL1467514 0.90 RAF1 (0.50) RAF1BRAFALDH1A1MAPTKDM4E
SCHEMBL1467015 0.89 RAF1 (0.49) RAF1BRAFALDH1A1MAPTKDM4E
SCHEMBL1467260 0.89 RAF1 (0.49) RAF1BRAFALDH1A1MAPTKDM4E
SCHEMBL1468134 0.89 RAF1 (0.49) RAF1BRAFALDH1A1MAPTKDM4E
SCHEMBL1467140 0.88 RAF1 (0.48) RAF1BRAFALDH1A1MAPTKDM4E
SCHEMBL1469050 0.88 RAF1 (0.52) RAF1BRAFALDH1A1MAPTKDM4E
SCHEMBL1467321 0.88 RAF1 (0.48) RAF1BRAFALDH1A1MAPTKDM4E
SCHEMBL1467541 0.87 RAF1 (0.47) RAF1BRAFALDH1A1MAPTKDM4E
SCHEMBL1469077 0.87 RXFP1 (0.49) RAF1BRAFMAPT
SCHEMBL1466856 0.87 RAF1 (0.47) RAF1BRAFALDH1A1MAPTKDM4E

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
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
US-20110071145-A1 Raf Modulators And Methods Of Use EXELIXIS, INC. (US) 2011-03-24 — — 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 (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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