SCHEMBL3144166

SCHEMBL3144166

CCOC(=O)c1ccc2nc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 14/20 0.65
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 3/20 0.56
TP53 P04637 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
STAT1 P42224 1/20 0.54
ALDH1A1 P00352 2/20 0.54
P2RY14 Q15391 2/20 0.53
ACP1 P24666 1/20 0.51
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL1308822 0.91 P2RY1 (0.66) P2RY1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3160294 0.88 P2RY1 (0.66) P2RY1NPC1RAB9AP2RY14MAPT
SCHEMBL3145089 0.88 P2RY1 (0.59) P2RY1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3163201 0.85 P2RY1 (0.66) P2RY1P2RY14
SCHEMBL3154555 0.84 RAB9A (0.67) P2RY1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3155017 0.84 P2RY1 (0.58) P2RY1NPC1RAB9AP2RY14
SCHEMBL3155588 0.83 P2RY1 (0.71) P2RY1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1307116 0.80 P2RY1 (0.58) P2RY1
SCHEMBL3157678 0.78 P2RY1 (0.67) P2RY1P2RY14
SCHEMBL1306215 0.77 P2RY1 (0.57) P2RY1

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-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-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 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
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 1/4885NPC1 2764/4885RAB9A 3263/4885

“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.