SCHEMBL14330529

SCHEMBL14330529

Cc1cnc2c3c4ccc5cccc6ccc(cc3n(-c3ccc7c(c3)C(C)(C)c3ccccc3-7)c2c1)c4c65

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.31
▸ CCR5 P51681 2/20 0.31
▸ CCR8 P51685 2/20 0.31
▸ NFKBIA P25963 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL14329592 0.96 NFKBIA (0.33) CCR1CCR5CCR8NFKBIA
SCHEMBL14330493 0.87 PRKCQ (0.31) CCR1CCR5CCR8
SCHEMBL14329579 0.82 PRKCQ (0.32) —
SCHEMBL14330574 0.81 CDK4 (0.30) —
SCHEMBL14330537 0.81 TOP2A (0.30) —
SCHEMBL14330494 0.79 AKT1 (0.33) —
SCHEMBL16788674 0.78 ERBB2 (0.33) —
SCHEMBL16788720 0.78 ERBB2 (0.33) —
SCHEMBL14329613 0.77 TOP2A (0.32) —
SCHEMBL16788664 0.77 TYMS (0.31) —

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 CCR1 2186/4885CCR5 2006/4885CCR8 1903/4885

“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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