SCHEMBL16896811

SCHEMBL16896811

COc1cc2c(cc1-c1c(C)n[nH]c1C)C=CCN2Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.39
▸ BRD2 P25440 3/20 0.39
▸ BRD3 Q15059 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYBB P04839 2/20 0.33
▸ NOX5 Q96PH1 2/20 0.33
▸ NOX4 Q9NPH5 2/20 0.33
▸ NOX1 Q9Y5S8 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ SCN9A Q15858 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
SCHEMBL18378608 0.84 BRD4 (0.53) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18317140 0.81 BRD4 (0.37) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18318155 0.79 BRD4 (0.38) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL16896810 0.78 BRD4 (0.39) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18317400 0.78 SYK (0.39) —
SCHEMBL18377960 0.75 BRD4 (0.47) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18317124 0.74 BRD4 (0.43) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18317130 0.74 BRD4 (0.43) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL20373578 0.74 SCN9A (0.42) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL18317121 0.72 BRD4 (0.44) BRD4BRD2BRD3CYP3A4CYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 — — EP claimed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO claimed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 — — US disclosed
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 — — EP disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO 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 (4 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 BRD4 4/4885BRD2 2/4885BRD3 3/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 BRD4 4/4885BRD2 2/4885BRD3 3/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885BRD2 2/4885BRD3 3/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885BRD2 2/4885BRD3 3/4885

“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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