SCHEMBL2874684

SCHEMBL2874684

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1-c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 13/20 0.67
EPHX2 P34913 1/20 0.58
IGF1R P08069 2/20 0.55
STING1 Q86WV6 1/20 0.53
P2RY2 P41231 1/20 0.49
P2RY14 Q15391 1/20 0.49
KIT P10721 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 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
SCHEMBL2874170 0.91 P2RY1 (0.59) P2RY1EPHX2IGF1RSTING1
SCHEMBL2877898 0.90 EPHX2 (0.68) P2RY1EPHX2IGF1RSTING1P2RY14
SCHEMBL2872551 0.87 EPHX2 (0.62) P2RY1EPHX2IGF1RSTING1KIT
SCHEMBL2875426 0.86 P2RY1 (0.61) P2RY1EPHX2IGF1RP2RY14
SCHEMBL2869182 0.85 P2RY1 (0.56) P2RY1EPHX2IGF1RSTING1P2RY14
SCHEMBL2875876 0.85 EPHX2 (0.62) P2RY1EPHX2IGF1RSTING1P2RY2
SCHEMBL2877993 0.85 EPHX2 (0.59) P2RY1EPHX2IGF1RSTING1KIT
SCHEMBL2872767 0.85 EPHX2 (0.59) P2RY1EPHX2IGF1RSTING1P2RY2
SCHEMBL14640383 0.85 EPHX2 (0.59) P2RY1EPHX2IGF1RSTING1P2RY2
SCHEMBL2877421 0.85 NPC1 (0.60) P2RY1EPHX2IGF1RSTING1KIT

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-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP claimed
EP-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP disclosed
EP-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
WO-2007002635-A2 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060293336-A1 C-linked cyclic 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 (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-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY11, P2RY1, P2RY13 P2RY1 2/4885EPHX2 1294/4885IGF1R 3533/4885

“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.