SCHEMBL4715461

SCHEMBL4715461

CCc1nc(Cl)c2sccc2n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.62
ADORA1 P30542 11/20 0.62
ADORA2B P29275 2/20 0.58
ADORA3 P0DMS8 1/20 0.58
PDE4A P27815 4/20 0.52
PDE4B Q07343 4/20 0.52
PDE4C Q08493 4/20 0.52
PDE4D Q08499 4/20 0.52
PDE3B Q13370 3/20 0.52
PDE3A Q14432 3/20 0.52
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
ELANE P08246 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6859886 0.86 PDE4A (0.50) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL3679965 0.83 ADORA2A (0.77) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL9263999 0.83 AXL (0.48) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL24995357 0.81 ADORA2A (0.60) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL2311045 0.81 AXL (0.47) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL10171315 0.81 ADORA2A (0.58) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL9381944 0.80 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL13660429 0.77 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL24996944 0.77 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL14513332 0.75 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3PDE4A

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
EP-1349861-B1 THIENO(3,2-d)PYRIMIDINES AND FURANO(3,2-d)PYRIMIDINES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-09-10 EP disclosed
US-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-06-26 US disclosed
EP-0276057-B1 Piperazinylpyrimidines as beta-adrenergic receptor blocking agents MERCK & CO INC (US) 1994-03-09 EP disclosed
US-4994464-A Treatment of elevated intraocular pressure and glaucoma MERCK & CO., INC. (US) 1991-02-19 US disclosed
US-4889856-A INTRAOCULAR PRESSURE REDUCTION; CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1989-12-26 US disclosed
EP-0276057-A2 Piperazinylpyrimidines as beta-adrenergic receptor blocking agents MERCK & CO. INC. (US) 1988-07-27 EP 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-20080153820-A1 Thieno(3,2-d)pyrimidines and furano(3,2-d)pyramidines and their use as purinergic receptor antagonists CHRNA5, HTR5A, CHRNA6 ADORA2A 6/4885ADORA1 37/4885ADORA2B 44/4885

“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.