SCHEMBL3154199

SCHEMBL3154199

Cc1cnc(Oc2ccccc2C(C)(C)C)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 14/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
IDO1 P14902 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
P2RY14 Q15391 1/20 0.36
ALOX5AP P20292 1/20 0.36

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
SCHEMBL1136324 0.84 CYP1A2 (0.39) P2RY1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL3257631 0.84 CYP1A2 (0.45) P2RY1CYP1A2CYP3A4CYP2C19IDO1
SCHEMBL3150390 0.81 HPGDS (0.40) P2RY1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL1135464 0.77 P2RY1 (0.52) P2RY1P2RY14
SCHEMBL17755145 0.77 SLC6A4 (0.55) P2RY1CYP3A4IDO1
SCHEMBL3148533 0.77 ALDH1A1 (0.47) P2RY1IDO1MAPT
SCHEMBL24654123 0.73 P2RY1 (0.46) P2RY1MAPTP2RY14
SCHEMBL30120906 0.73 P2RY1 (0.40) P2RY1CYP1A2CYP3A4CYP2C19P2RY14
SCHEMBL1306805 0.73 P2RY1 (0.40) P2RY1CYP1A2CYP3A4CYP2C19P2RY14
SCHEMBL397028 0.72 ALDH1A1 (0.48) P2RY1CYP1A2CYP3A4CYP2C19MAPT

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 disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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 (2 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 P2RY1 1/4885CYP1A2 2831/4885CYP3A4 2358/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 P2RY1 1/4885CYP1A2 2831/4885CYP3A4 2358/4885

“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.