SCHEMBL14725747

SCHEMBL14725747

c1cncc(-c2ccc(-c3cc4cc5c(cc(-c6ccc(-c7cccnc7)cc6)c6cc7c(cc65)sc5ccccc57)cc4c4cc5sc6ccccc6c5cc34)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.48
CYP11B2 P19099 5/20 0.40
CYP19A1 P11511 3/20 0.40
CYP17A1 P05093 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
DHODH Q02127 1/20 0.39
DYRK1A Q13627 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LIMK1 P53667 1/20 0.37
CYP2A6 P11509 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL14725755 0.94 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL16472915 0.91 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL16472863 0.85 CYP11B1 (0.46) CYP11B1CYP11B2NPC1RAB9ADYRK1A
SCHEMBL16472669 0.84 CYP11B1 (0.45) CYP11B1CYP11B2NPC1RAB9ACYP2A6
SCHEMBL14725745 0.84 GPR3 (0.45) RAB9AALDH1A1CYP1A2
SCHEMBL16472832 0.82 CYP11B1 (0.45) CYP11B1CYP11B2NPC1RAB9ACYP2A6
SCHEMBL22097007 0.81 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL22097235 0.81 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL22097073 0.81 CYP1A2 (0.40) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL22096966 0.81 CYP1A2 (0.40) CYP11B1CYP11B2CYP19A1CYP17A1NPC1

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 887/4885CYP11B2 836/4885CYP19A1 780/4885

“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.