SCHEMBL14329639

SCHEMBL14329639

c1ccc2c(c1)ccc1cc(-n3c4ccncc4c4c5ccc6cc7c(c8ccc(cc43)c5c68)c3cnccc3n7-c3ccc4c(ccc5ccccc54)c3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.40
▸ MAOA P21397 5/20 0.38
▸ ACHE P22303 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ MAPK10 P53779 7/20 0.36
▸ MAPK9 P45984 6/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ HIPK2 Q9H2X6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL14329649 0.92 MAPK10 (0.42) TOP2AMAPK10MAPK9MAPK8POLB
SCHEMBL14329624 0.88 TOP2A (0.42) TOP2AMAOAACHECYP1A2KDM4E
SCHEMBL14330540 0.86 MAOA (0.40) TOP2AMAOAACHEERBB2CYP1A2
SCHEMBL14330535 0.83 CYP11B1 (0.37) TOP2AMAOAACHEERBB2CYP1A2
SCHEMBL14330538 0.82 MAOA (0.44) TOP2AMAOAACHEERBB2CYP1A2
SCHEMBL14329611 0.81 MAPK10 (0.39) TOP2AMAPK10DYRK1A
SCHEMBL14329632 0.81 TOP2A (0.33) TOP2AKDM4E
SCHEMBL14330562 0.79 ERBB2 (0.33) TOP2AMAOAACHEERBB2CYP1A2
SCHEMBL26329894 0.79 TOP2A (0.39) TOP2AMAOAACHEMAPK10MAPK9
SCHEMBL14330576 0.78 MAOA (0.39) TOP2AMAOAACHEERBB2CYP1A2

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-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-20120326135-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-20120326135-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-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D TOP2A 4020/4885MAOA 101/4885ACHE 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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