SCHEMBL14330490

SCHEMBL14330490

c1ccc(-n2c3cccnc3c3c4ccc5ccc(-c6cc7ccccc7c7ccccc67)c6ccc(cc32)c4c56)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CCR1 P32246 4/20 0.31
▸ CCR8 P51685 4/20 0.31
▸ CYP3A4 P08684 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ CCR5 P51681 2/20 0.31
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31

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
SCHEMBL14329571 0.86 KDM4E (0.40) L3MBTL1KDM4EATMCCR1CCR8
SCHEMBL14330504 0.84 ALDH1A1 (0.33) L3MBTL1KDM4EATMTSHRREN
SCHEMBL14330501 0.83 KDM4E (0.37) L3MBTL1KDM4EATMTSHRPDE4A
SCHEMBL14330534 0.83 TOP1 (0.34) L3MBTL1KDM4EATMTSHRALDH1A1
SCHEMBL14330515 0.83 ALDH1A1 (0.33) L3MBTL1KDM4EATMTSHRLMNA
SCHEMBL14330503 0.83 REN (0.32) L3MBTL1KDM4EATMTSHRREN
SCHEMBL14330495 0.82 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14330492 0.82 KDM4E (0.35) L3MBTL1KDM4EATMTSHRALDH1A1
SCHEMBL14329605 0.81 KDM4E (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14330498 0.81 PRKDC (0.32) ACHEKDM4EMAPTLMNAHTT

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 CYP1A2 60/4885ERBB2 1188/4885FYN 1663/4885

“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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