SCHEMBL5120980

SCHEMBL5120980

COc1ccc(CNc2nc(-c3cnccn3)nc3sc(C)c(Cl)c23)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCDIN3D Q7Z5W3 2/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ PDE5A O76074 8/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ LIMK1 P53667 1/20 0.39
▸ LIMK2 P53671 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
SCHEMBL5123241 0.94 CHRM4 (0.42) CHRM4ADORA2APDE5ALIMK1LIMK2
SCHEMBL5122410 0.93 SMN1; SMN2 (0.42) BCDIN3DCHRM4ADORA2APDE5APDE10A
SCHEMBL5128036 0.90 ADORA2A (0.51) ADORA2ALIMK1LIMK2
SCHEMBL5130300 0.89 PDE5A (0.46) BCDIN3DPDE5APDE10A
SCHEMBL5122177 0.86 ESR1 (0.45) BCDIN3DADORA2APDE5APDE10A
SCHEMBL5127640 0.86 PDE5A (0.46) CHRM4PDE5A
SCHEMBL5130858 0.85 PRKCI (0.47) BCDIN3DCHRM4PDE5A
SCHEMBL5117610 0.85 PDE5A (0.42) BCDIN3DPDE5ALIMK1LIMK2
SCHEMBL5780526 0.85 PRKCI (0.49) —
SCHEMBL5128670 0.85 SMN1; SMN2 (0.44) CHRM4ADORA2APDE5A

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
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 — — US disclosed
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 — — EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 — — WO disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 — — US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 — — EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 — — 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 BCDIN3D 1161/4885CHRM4 4573/4885ADORA2A 1406/4885

“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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