SCHEMBL1424825

SCHEMBL1424825

CC(C)(C)c1cccc(Oc2ncccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 13/20 0.50
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KIF11 P52732 1/20 0.41
TRPA1 O75762 1/20 0.39
MAPT P10636 1/20 0.38
SOD1 P00441 1/20 0.38

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
SCHEMBL1307522 0.85 P2RY1 (0.54) P2RY1CYP2C19MAPT
SCHEMBL15055566 0.83 ALDH1A1 (0.51) P2RY1LMNAPOLBCYP3A4CYP2C9
SCHEMBL30612616 0.83 ALDH1A1 (0.51) P2RY1LMNAPOLBCYP3A4CYP2C9
SCHEMBL14005471 0.83 P2RY1 (0.36) P2RY1LMNAPOLBHTTL3MBTL1
Hydrochloric Acid SCHEMBL25305912 0.82 ALDH1A1 (0.50) P2RY1LMNAPOLBCYP3A4CYP2C9
SCHEMBL1135712 0.77 KDR (0.41) LMNA
SCHEMBL243134 0.76 ALDH1A1 (0.53) POLBL3MBTL1CYP2C9CYP2C19MAPT
SCHEMBL18118971 0.75 CYP3A4 (0.59) LMNAPOLBHTTL3MBTL1CYP3A4
SCHEMBL1201346 0.74 CYP3A4 (0.44) P2RY1LMNAPOLBHTTL3MBTL1
SCHEMBL6470759 0.74 CYP3A4 (0.49) P2RY1LMNAPOLBHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896417-B1 LINEAR UREA MIMICS ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2011-03-23 EP disclosed
US-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-7714002-B2 Carbocycle and heterocycle antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
EP-1896417-A1 LINEAR UREA MIMICS ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Brystol-Myers Squibb Company (US) 2008-03-12 EP disclosed
WO-2007002634-A1 CARBOCYCLE AND HETEROCYCLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002584-A1 LINEAR UREA MIMICS ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20060293522-A1 Carbocycle and heterocycle antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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-20060293522-A1 Carbocycle and heterocycle antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY13 P2RY1 1/4885LMNA 3781/4885POLB 2634/4885
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R P2RY1 1/4885LMNA 3418/4885POLB 2945/4885

“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.