SCHEMBL3160294

SCHEMBL3160294

Cc1ccc2nc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 18/20 0.66
P2RY14 Q15391 2/20 0.58
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 1/20 0.52
OPRK1 P41145 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL3163201 0.90 P2RY1 (0.66) P2RY1P2RY14
SCHEMBL3154555 0.90 RAB9A (0.67) P2RY1P2RY14NPC1RAB9AMAPT
SCHEMBL3155017 0.89 P2RY1 (0.58) P2RY1P2RY14NPC1RAB9AMEN1
SCHEMBL3144166 0.88 P2RY1 (0.65) P2RY1P2RY14NPC1RAB9AMAPT
SCHEMBL1307392 0.87 P2RY1 (0.63) P2RY1
SCHEMBL3145089 0.86 P2RY1 (0.59) P2RY1P2RY14NPC1RAB9AMAPT
SCHEMBL3157678 0.83 P2RY1 (0.67) P2RY1P2RY14
SCHEMBL3149385 0.83 P2RY1 (0.62) P2RY1P2RY14
SCHEMBL3159410 0.82 P2RY1 (0.58) P2RY1P2RY14
SCHEMBL3159766 0.81 P2RY1 (0.70) P2RY1P2RY14NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP claimed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US claimed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP claimed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO claimed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO claimed
EP-4094762-A1 TREATMENT OF NEUROLOGICAL INDICATIONS UCL Business Ltd (GB) 2022-11-30 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-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 P2RY1 1/4885P2RY14 14/4885NPC1 2764/4885

“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.