SCHEMBL14330516

SCHEMBL14330516

c1ccc(N(c2ccccc2)c2ccc(-n3c4cccnc4c4c5ccc6cccc7ccc(cc43)c5c76)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ PSMD14 O00487 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MMP2 P08253 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
SCHEMBL14329606 0.96 REN (0.31) —
SCHEMBL14330510 0.88 COMT (0.31) —
SCHEMBL14330495 0.88 CYP1A2 (0.40) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL14329571 0.85 KDM4E (0.40) TP53MMP2
SCHEMBL14329583 0.83 ALDH1A1 (0.35) MMP2
SCHEMBL14329605 0.82 KDM4E (0.41) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL14330507 0.82 KDM4E (0.33) —
SCHEMBL14329616 0.82 KDM4E (0.32) CYP1A2
SCHEMBL14329597 0.81 MAPK10 (0.38) TP53POLBMMP2
SCHEMBL14330511 0.81 CHKA (0.37) —

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 ERBB2 1188/4885CYP1A2 60/4885FYN 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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