SCHEMBL13063638

SCHEMBL13063638

COc1cc(-c2nc3cc(F)cc(F)c3c(C)c2C)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.51
MAPK14 Q16539 3/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
LRRK2 Q5S007 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
ADORA2A P29274 1/20 0.37
S1PR1 P21453 2/20 0.36
MTOR P42345 1/20 0.36
GRM5 P41594 1/20 0.36
ACVR2A P27037 1/20 0.36
TGFBR2 P37173 1/20 0.36
IDO1 P14902 1/20 0.36
DYRK1A Q13627 1/20 0.36
ADORA2B P29275 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TDO2 P48775 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 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
SCHEMBL2125160 0.90 PIK3CA (0.48) PIK3CAMAPK14MAPK13MAPK12MAPK11
SCHEMBL2608573 0.74 MAPK14 (0.43) PIK3CAMAPK14MAPK13MAPK12MAPK11
SCHEMBL13063658 0.74 CYP11B1 (0.46) PIK3CAMAPK14GRM5PDE10A
SCHEMBL30954904 0.74 MAPK13 (0.48) MAPK14MAPK13MAPK12MAPK11LRRK2
SCHEMBL12992181 0.74 PIK3CA (0.40) PIK3CAADORA2BPDE10ACYP19A1
SCHEMBL2711453 0.73 PIK3CA (0.60) PIK3CAMAPK14MAPK13MAPK12MAPK11
SCHEMBL2711207 0.73 ADORA2B (0.44) PIK3CAADORA2BTDO2
SCHEMBL13063909 0.71 APP (0.40) TDO2
SCHEMBL2712520 0.69 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL30626327 0.68 LOX (0.55) LRRK2S1PR1ACVR2ATGFBR2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 29/4885MAPK14 705/4885MAPK13 767/4885

“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.