SCHEMBL1469050

SCHEMBL1469050

COc1cccc(NC(=O)c2ccccc2C(=O)c2ccc3nc(N(C)C(=O)O)[nH]c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 3/20 0.52
▸ BRAF P15056 3/20 0.52
▸ KDR P35968 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ COMT P21964 1/20 0.44
▸ TUBB4A P04350 1/20 0.44

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 0.88 RAF1 (0.50) RAF1BRAFKDM4EGAARAB9A
SCHEMBL1468134 0.88 RAF1 (0.49) RAF1BRAFKDM4ENPC1RAB9A
SCHEMBL1467015 0.88 RAF1 (0.49) RAF1BRAFKDRKDM4ERAB9A
SCHEMBL1466471 0.88 RAF1 (0.49) RAF1BRAFKDRKDM4ERAB9A
SCHEMBL1467260 0.88 RAF1 (0.49) RAF1BRAFKDM4ENPC1RAB9A
SCHEMBL1467140 0.86 RAF1 (0.48) RAF1BRAFKDRKDM4ERAB9A
SCHEMBL1467321 0.86 RAF1 (0.48) RAF1BRAFKDRKDM4ENPC1
SCHEMBL1469077 0.85 RXFP1 (0.49) RAF1BRAFMAPT
SCHEMBL1467541 0.85 RAF1 (0.47) RAF1BRAFKDRKDM4ENPC1
SCHEMBL1466856 0.85 RAF1 (0.47) RAF1BRAFKDRKDM4ENPC1

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 3 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

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 1/4885KDR 317/4885

“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.

Send feedback