SCHEMBL14725635

SCHEMBL14725635

c1cncc(-c2ccc(-c3cc4cc5c(cc(-c6ccc(-c7cccnc7)cc6)c6ccc7c8ccccc8sc7c65)cc4c4c3ccc3c5ccccc5sc34)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.47
LIMK1 P53667 1/20 0.41
CYP11B2 P19099 4/20 0.40
CYP19A1 P11511 2/20 0.40
CYP17A1 P05093 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
PIP5K1C O60331 1/20 0.39
PI4KA P42356 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
DHODH Q02127 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
ALOX5 P09917 1/20 0.37
DYRK1A Q13627 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
MKNK1 Q9BUB5 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
SCHEMBL14725616 0.94 CYP11B1 (0.54) CYP11B1LIMK1CYP11B2CYP19A1CYP17A1
SCHEMBL14725748 0.91 CYP11B1 (0.44) CYP11B1LIMK1CYP11B2CYP19A1CYP17A1
SCHEMBL16472921 0.87 CYP11B1 (0.49) CYP11B1LIMK1CYP11B2NPC1RAB9A
SCHEMBL16472865 0.85 CYP11B1 (0.45) CYP11B1LIMK1CYP11B2NPC1RAB9A
SCHEMBL16472657 0.85 CYP11B1 (0.44) CYP11B1LIMK1CYP11B2NPC1RAB9A
SCHEMBL14725627 0.85 TNKS (0.42) LIMK1RAB9AALOX5ALDH1A1
SCHEMBL14725756 0.84 CYP11B1 (0.50) CYP11B1LIMK1CYP11B2CYP19A1CYP17A1
SCHEMBL15446958 0.82 ALOX5 (0.45) CYP11B1LIMK1CYP11B2CYP19A1CYP17A1
SCHEMBL16472797 0.82 CYP11B1 (0.43) CYP11B1LIMK1CYP11B2NPC1RAB9A
SCHEMBL15461847 0.81 ALOX5 (0.38) CYP11B1LIMK1NPC1RAB9AHIPK2

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 887/4885LIMK1 460/4885CYP11B2 836/4885

“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.