SCHEMBL14725637

SCHEMBL14725637

Cn1cc2ccc3c(-c4ccc(-c5cccnc5)cc4)cc4cc5c(cc(-c6ccc(-c7cccnc7)cc6)c6ccc7cn(C)nc7c65)cc4c3c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP11B2 P19099 8/20 0.38
CYP19A1 P11511 6/20 0.38
CYP17A1 P05093 3/20 0.38
HTR1D P28221 1/20 0.38
GRM2 Q14416 1/20 0.37
HIPK2 Q9H2X6 1/20 0.36
BRAF P15056 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KIF11 P52732 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 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
SCHEMBL14725653 0.94 CYP11B1 (0.45) CYP11B1CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL14725633 0.85 ADORA3 (0.36) GRM2
SCHEMBL14725643 0.79 ADORA3 (0.37) GSK3B
SCHEMBL14725649 0.74 CYP11B2 (0.41) CYP11B1CYP2C9CYP2B6CYP2C19CYP11B2
SCHEMBL14725675 0.74 GPR3 (0.31) BRAF
SCHEMBL14725669 0.73 SIRT2 (0.33)
SCHEMBL15446983 0.71 CYP11B1 (0.53) CYP11B1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL13085257 0.70 CYP2A6 (0.52) CYP11B1CYP2A6CYP11B2CYP19A1CYP17A1
SCHEMBL11931225 0.70 CYP2A6 (0.52) CYP11B1CYP2A6CYP11B2CYP19A1CYP17A1
SCHEMBL13084928 0.70 CYP2A6 (0.52) CYP11B1CYP2A6CYP11B2CYP19A1CYP17A1

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
US-9255084-B2 Heterocyclic compound and organic light-emitting device containing the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-09 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 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-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME TRPC1, TRPC4, TRPC6 CYP11B1 887/4885CYP2E1 170/4885CYP2A6 1337/4885

“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.