SCHEMBL2614940

SCHEMBL2614940

COc1ccc(-c2ccc(C)nc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
PIK3CA P42336 3/20 0.49
PDE10A Q9Y233 2/20 0.49
PIK3CD O00329 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
PIP5K1C O60331 1/20 0.46
PI4KA P42356 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ERN1 O75460 2/20 0.45
FYN P06241 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
CYP19A1 P11511 2/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL3754419 0.89 CYP2A6 (0.68) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL31174412 0.89 CYP2A6 (0.68) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL12497850 0.83 MKNK1 (0.59) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL13968126 0.83 FYN (0.67) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL676678 0.82 HPGDS (0.56) PIK3CAPDE10APIK3CDPIK3CBPIK3CG
SCHEMBL6291372 0.82 MKNK1 (0.57) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL14970129 0.81 CYP2A6 (0.49) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL13173483 0.80 PIK3CD (0.49) CYP2A6MKNK1MKNK2PIK3CAPDE10A
SCHEMBL2155503 0.80 MKNK1 (0.56) CYP2A6MKNK1MKNK2HSD17B1HSD17B2
SCHEMBL14970135 0.80 DYRK1A (0.62) CYP2A6MKNK1MKNK2HSD17B1HSD17B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 CYP2A6 225/4885MKNK1 4492/4885MKNK2 4263/4885

“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.