SCHEMBL14330561

SCHEMBL14330561

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccncc4c4c5ccc6cccc7ccc(cc43)c5c76)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.37
▸ MAPK10 P53779 1/20 0.36
▸ 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
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TOP2A P11388 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL14329621 0.95 MAPK10 (0.39) TNFMAPK10CYP1A2CSNK2A2CSNK2B
SCHEMBL14330598 0.91 CYP1A2 (0.35) TNFMAPK10CYP1A2ERBB2FYN
SCHEMBL14330540 0.80 MAOA (0.40) TNFMAPK10CYP1A2ERBB2FYN
SCHEMBL14329611 0.80 MAPK10 (0.39) TNFMAPK10CSNK2A2CSNK2BMEN1
SCHEMBL14330517 0.80 ERBB2 (0.35) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14330538 0.78 MAOA (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14330562 0.78 ERBB2 (0.33) TNFCYP1A2ERBB2FYNMAOA
SCHEMBL14330563 0.77 MAPT (0.36) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14330617 0.77 REN (0.36) TOP2AALDH1A1ATMHASPIN
SCHEMBL13087089 0.76 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE

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 TNF 1386/4885MAPK10 3300/4885CYP1A2 60/4885

“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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