SCHEMBL13063658

SCHEMBL13063658

COc1cncc(-c2nc3cc(F)cc(F)c3c(C)c2C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.46
CYP11B2 P19099 10/20 0.46
PDE2A O00408 2/20 0.41
PDE10A Q9Y233 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PIK3CA P42336 4/20 0.37
MAPK14 Q16539 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP17A1 P05093 1/20 0.34
GRM5 P41594 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL249083 0.89 CYP11B1 (0.44) CYP11B1CYP11B2PDE2APDE10ACYP1A2
SCHEMBL13063638 0.74 PIK3CA (0.51) PDE10APIK3CAMAPK14GRM5
SCHEMBL2125696 0.74 PIK3CA (0.44) CYP11B1CYP11B2CYP3A4PIK3CACYP17A1
SCHEMBL2125276 0.73 PIK3CA (0.45) CYP11B1CYP11B2PIK3CA
SCHEMBL2711406 0.73 PIK3CA (0.38) CYP11B1CYP11B2PDE2APIK3CA
SCHEMBL17896703 0.72 CYP11B1 (0.50) CYP11B1CYP11B2PDE2APDE10ACYP1A2
SCHEMBL12992181 0.69 PIK3CA (0.40) PDE10APIK3CA
SCHEMBL2124466 0.69 CYP11B1 (0.38) CYP11B1CYP11B2PIK3CA
SCHEMBL13063909 0.68 APP (0.40)
SCHEMBL2126073 0.68 PIK3CA (0.49) PIK3CA

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 CYP11B1 1418/4885CYP11B2 1364/4885PDE2A 2775/4885

“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.