SCHEMBL16132469

SCHEMBL16132469

Cc1c(C2CC2)n[nH]c1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.36
▸ DRD2 P14416 3/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ PDE10A Q9Y233 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL16231396 0.79 DYRK1A (0.44) HCAR2DRD2DRD4DRD3PDE10A
SCHEMBL14871558 0.79 DYRK1A (0.44) PDE10ALRRK2
SCHEMBL8301650 0.76 HCAR2 (0.32) HCAR2PDE10A
SCHEMBL5184422 0.76 BRD4 (0.34) PDE10A
SCHEMBL24192083 0.72 TLR9 (0.30) —
SCHEMBL10960154 0.68 HRH2 (0.34) —
SCHEMBL7307418 0.67 HRH2 (0.37) —
SCHEMBL16979319 0.67 HCAR2 (0.52) HCAR2
SCHEMBL21405574 0.67 JAK2 (0.33) —
SCHEMBL16009303 0.67 HCAR2 (0.35) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017106568-A1 COMBINATION OF A JAK INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. (US) 2017-06-22 — — WO disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 — — US disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 — — US disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 — — US disclosed
WO-2014160873-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 — — WO disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 — — 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 (3 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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HCAR2 4072/4885DRD2 2155/4885DRD4 2256/4885
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HCAR2 3850/4885DRD2 1807/4885DRD4 1988/4885
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HCAR2 4072/4885DRD2 2155/4885DRD4 2256/4885

“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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