SCHEMBL14725653

SCHEMBL14725653

Cn1cc2ccc3c(-c4cccnc4)cc4cc5c(cc(-c6cccnc6)c6ccc7cn(C)nc7c65)cc4c3c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.45
CYP2C9 P11712 3/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
HIPK2 Q9H2X6 1/20 0.40
CYP11B2 P19099 9/20 0.38
BRAF P15056 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CYP17A1 P05093 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
MAT2A P31153 2/20 0.36
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL14725637 0.94 CYP11B1 (0.39) CYP11B1CYP2C9CYP2B6CYP2C19CYP2E1
SCHEMBL14725633 0.86 ADORA3 (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14725643 0.82 ADORA3 (0.37)
SCHEMBL14725675 0.74 GPR3 (0.31) BRAFALDH1A1HPGD
SCHEMBL14725669 0.74 SIRT2 (0.33) KDM4EALDH1A1HPGD
SCHEMBL15372036 0.69 CYP11B1 (0.60) CYP11B1CYP2A6HIPK2CYP11B2CYP17A1
SCHEMBL14725672 0.69 ALOX5 (0.40) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15446962 0.68 CYP11B1 (0.58) CYP11B1CYP2C9CYP2B6CYP2C19CYP2A6
SCHEMBL12970429 0.68 CYP2A6 (0.50) CYP2C9CYP2B6CYP2C19CYP2E1CYP2A6
SCHEMBL14725616 0.68 CYP11B1 (0.54) CYP11B1CYP2A6HIPK2CYP11B2CYP17A1

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 887/4885CYP2C9 152/4885CYP2B6 687/4885

“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.