SCHEMBL14330540

SCHEMBL14330540

c1cc2ccc3cc4c(c5ccc(c1)c2c35)c1cnccc1n4-c1ccc(-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.40
▸ ACHE P22303 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ TOP2A P11388 1/20 0.39
▸ MAOB P27338 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP2D6 P10635 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CDK4 P11802 2/20 0.32
▸ CCND1 P24385 1/20 0.32

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
SCHEMBL14329624 0.95 TOP2A (0.42) MAOAACHECYP1A2TOP2AMAOB
SCHEMBL14330576 0.92 MAOA (0.39) MAOAACHECYP1A2ERBB2FYN
SCHEMBL14330562 0.88 ERBB2 (0.33) MAOAACHECYP1A2ERBB2FYN
SCHEMBL14329639 0.86 TOP2A (0.40) MAOAACHECYP1A2ERBB2FYN
SCHEMBL14329649 0.86 MAPK10 (0.42) TOP2AALDH1A1POLBMAPK9MAPK10
SCHEMBL14330538 0.83 MAOA (0.44) MAOAACHECYP1A2ERBB2FYN
SCHEMBL14330536 0.83 KDM4E (0.35) MAOAACHECYP1A2TOP2AMAOB
SCHEMBL14330546 0.82 KDM4E (0.37) MAOAACHECYP1A2TOP2AMAOB
SCHEMBL14330535 0.82 CYP11B1 (0.37) MAOAACHECYP1A2ERBB2FYN
SCHEMBL14330617 0.82 REN (0.36) TOP2AKDM4EATML3MBTL1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D MAOA 101/4885ACHE 821/4885CYP1A2 60/4885

“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.

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