SCHEMBL18326404

SCHEMBL18326404

COc1cc(NCc2ccccn2)c(NC(=O)OC(C)(C)C)cc1-c1c(C)noc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.44
▸ CYP3A4 P08684 7/20 0.43
▸ CYP2C9 P11712 7/20 0.43
▸ BRD2 P25440 4/20 0.43
▸ BRD3 Q15059 4/20 0.43
▸ PKM P14618 1/20 0.43
▸ CYP2C19 P33261 2/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL16896905 0.90 BRD4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18326406 0.81 BRD4 (0.40) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16140969 0.78 BRD4 (0.66) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16905852 0.77 CYP3A4 (0.43) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18326405 0.74 CYP3A4 (0.40) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL1907500 0.74 CYP3A4 (0.68) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18359636 0.73 BRD4 (0.48) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18359601 0.73 BRD4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18904305 0.71 BRD4 (0.61) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16896819 0.70 BRD4 (0.43) BRD4CYP3A4CYP2C9BRD2BRD3

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-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1942/4885CYP2C9 1528/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885CYP3A4 1942/4885CYP2C9 1528/4885

“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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