SCHEMBL18359528

SCHEMBL18359528

COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Nc1ccncc1)c(=O)n2Cc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ BRD2 P25440 2/20 0.51
▸ BRD3 Q15059 2/20 0.51
▸ S1PR3 Q99500 1/20 0.40
▸ TAS2R8 Q9NYW2 1/20 0.40
▸ AKR1C3 P42330 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL18359526 0.93 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18359561 0.93 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18359622 0.93 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18359510 0.93 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18359662 0.93 BRD4 (0.50) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18359513 0.92 BRD4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18359532 0.91 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20547347 0.91 BRD4 (0.51) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18359618 0.91 BRD4 (0.47) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20547341 0.91 BRD4 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-11-01 — — US claimed
US-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-11-01 — — US disclosed
WO-2017001733-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2017-01-05 — — 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 (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-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRD2 BRD4 2/4885CYP3A4 2191/4885CYP2C9 2110/4885

“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.

Send feedback