SCHEMBL14330538

SCHEMBL14330538

c1ccc2c(c1)cc(-n1c3ccncc3c3c4ccc5cccc6ccc(cc31)c4c65)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ ACHE P22303 2/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ TOP2A P11388 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL14330573 0.91 CYP1A2 (0.44) MAOACYP1A2ACHEERBB2FYN
SCHEMBL14330540 0.83 MAOA (0.40) MAOACYP1A2ACHEERBB2FYN
SCHEMBL14329639 0.82 TOP2A (0.40) MAOACYP1A2ACHEERBB2FYN
SCHEMBL14330535 0.80 CYP11B1 (0.37) MAOACYP1A2ACHEERBB2FYN
SCHEMBL14330491 0.79 CYP1A2 (0.44) MAOACYP1A2ACHEERBB2FYN
SCHEMBL13556865 0.79 KDM4E (0.41) MAOACYP1A2ACHEERBB2FYN
SCHEMBL14330561 0.78 TNF (0.37) MAOACYP1A2ACHEERBB2FYN
SCHEMBL14330539 0.78 ERBB2 (0.35) MAOACYP1A2ACHEERBB2FYN
SCHEMBL14329624 0.78 TOP2A (0.42) MAOACYP1A2ACHETOP2AKDM4E
SCHEMBL14329649 0.77 MAPK10 (0.42) TOP2APOLBCYP11B1ALDH1A1

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 101/4885CYP1A2 60/4885ACHE 821/4885

“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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