SCHEMBL14329607

SCHEMBL14329607

c1ccc2c(c1)cc(-n1c3cccnc3c3c4ccc5cc6c(c7ccc(cc31)c4c57)c1ncccc1n6-c1cc3ccccc3c3ccccc13)c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ERBB2 P04626 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ CYP3A4 P08684 4/20 0.35
▸ CCR1 P32246 4/20 0.35
▸ CCR8 P51685 4/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ PMP22 Q01453 2/20 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
SCHEMBL14330491 0.96 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9ERBB2FYN
SCHEMBL14329582 0.86 CYP3A4 (0.40) CYP1A2CYP2C19ERBB2FYNMAOA
SCHEMBL14329591 0.82 KDM4E (0.39) CYP1A2CYP2C19ERBB2FYNMAOA
SCHEMBL14329610 0.82 ALDH1A1 (0.33) CYP1A2CYP2C19ERBB2FYNMAOA
SCHEMBL14329601 0.82 TOP1 (0.36) CYP3A4CCR1CCR8CCR5L3MBTL1
SCHEMBL13556840 0.82 ALDH1A1 (0.38) CYP1A2CYP2C19CYP2C9CYP3A4CCR1
SCHEMBL14330490 0.81 CYP1A2 (0.35) CYP1A2CYP2C19ERBB2FYNMAOA
SCHEMBL14329605 0.81 KDM4E (0.41) CYP1A2CYP2C19ERBB2FYNMAOA
SCHEMBL14329571 0.80 KDM4E (0.40) CYP2C19CYP3A4CCR1CCR8CCR5
SCHEMBL14329597 0.80 MAPK10 (0.38) CYP3A4CCR1CCR8CCR5L3MBTL1

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 CYP1A2 60/4885CYP2C19 20/4885CYP2C9 44/4885

“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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