SCHEMBL4766847

SCHEMBL4766847

Cc1cccc(COc2cnccc2C#N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
HTT P42858 1/20 0.39
GRM5 P41594 3/20 0.38
SYK P43405 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIP4K2A P48426 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29529775 0.88 FFAR1 (0.44) FFAR1HTTALDH1A1MAPTHPGD
SCHEMBL25321453 0.88 FFAR1 (0.44) FFAR1HTTALDH1A1MAPTHPGD
SCHEMBL25321602 0.85 CLK1 (0.38) FFAR1HTTGRM5SYKALDH1A1
SCHEMBL25319653 0.84 HTT (0.39) FFAR1HTTALDH1A1SMN1; SMN2PIP4K2A
SCHEMBL25323757 0.84 HTT (0.37) FFAR1HTTALDH1A1SMN1; SMN2PIP4K2A
SCHEMBL29530232 0.84 HTT (0.37) FFAR1HTTALDH1A1SMN1; SMN2PIP4K2A
SCHEMBL25320336 0.80 IDH1 (0.39) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL29530250 0.78 ALDH1A1 (0.38) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL25320659 0.78 ALDH1A1 (0.38) FFAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL4544596 0.75 FNTA (0.53)

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-2004667-A2 NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES Sun Pharma Advanced Research Company Limited (IN) 2008-12-24 EP claimed
WO-2007099548-A2 NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2007-09-07 WO claimed
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF FFAR1 2178/4885GABRA1 3660/4885GABRG2 3437/4885

“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.