SCHEMBL18326398

SCHEMBL18326398

Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OCC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 0.56
▸ CYP3A4 P08684 3/20 0.47
▸ BRD2 P25440 2/20 0.47
▸ BRD3 Q15059 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ TRIM24 O15164 1/20 0.42
▸ BRD1 O95696 1/20 0.42
▸ CHRNA1 P02708 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CCL2 P13500 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ TAF1 P21675 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ SMARCA2 P51531 1/20 0.42

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
Hydrochloric Acid SCHEMBL16896953 0.99 BRD4 (0.55) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL16906060 0.92 BRD4 (0.48) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL16906059 0.91 BRD4 (0.51) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL16905837 0.90 BRD4 (0.49) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL18326402 0.89 BRD4 (0.49) BRD4CYP3A4BRD2BRD3CYP2C9
Hydrochloric Acid SCHEMBL16896908 0.89 BRD4 (0.49) BRD4CYP3A4BRD2BRD3CYP2C9
Hydrochloric Acid SCHEMBL18317127 0.89 BRD4 (0.49) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL16896878 0.86 BRD4 (0.46) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL20357623 0.85 BRD4 (0.48) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL16905847 0.85 BRD4 (0.60) BRD4CYP3A4BRD2BRD3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 — — US claimed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP claimed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US claimed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
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
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — 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 (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 4/4885CYP3A4 1942/4885BRD2 2/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 BRD4 4/4885CYP3A4 1942/4885BRD2 2/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885CYP3A4 1942/4885BRD2 2/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885CYP3A4 1942/4885BRD2 2/4885

“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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