SCHEMBL14330565

SCHEMBL14330565

c1ccc(-n2c(-c3ccc(-c4ccc5ccc6c7c(ccc4c57)cc4c6c5cnccc5n4-c4ccccc4)nc3)nc3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 10/20 0.37
▸ ATR Q13535 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AOC2 O75106 1/20 0.33
▸ MAPK10 P53779 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
SCHEMBL14330568 0.89 ESR1 (0.43) AOC3RECQLESR1ESR2RPS6KA5
SCHEMBL12731470 0.80 ESR1 (0.44) RECQLESR1ESR2MAPTMEN1
SCHEMBL14330546 0.79 KDM4E (0.37) MAPK10
SCHEMBL14330564 0.78 DYRK1A (0.34) MAPT
SCHEMBL12731461 0.78 MAPT (0.37) MAPTMEN1KMT2A
SCHEMBL14330548 0.77 TNF (0.36) AOC3RPS6KA5MAPTMEN1HSP90AA1
SCHEMBL14330524 0.77 ESR1 (0.41) RECQLESR1ESR2MAPTMEN1
SCHEMBL14330557 0.76 TNF (0.33) —
SCHEMBL12731468 0.76 PDGFRB (0.36) —
SCHEMBL14330536 0.75 KDM4E (0.35) MAPT

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 AOC3 143/4885ATR 1504/4885RECQL 2626/4885

“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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