SCHEMBL2868835

SCHEMBL2868835

O=C(Nc1ccc(F)cc1F)Nc1ccccc1-c1cc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.59
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
PKM P14618 1/20 0.52
RECQL P46063 2/20 0.51
F3 P13726 1/20 0.49
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
KLK7 P49862 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL2875413 0.81 P2RY1 (0.71) P2RY1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL13437628 0.78 P2RY1 (0.59) P2RY1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL13437657 0.78 P2RY1 (0.71) P2RY1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2880008 0.77 P2RY1 (0.69) P2RY1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL11726409 0.77 P2RY1 (0.56) P2RY1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2880366 0.76 P2RY1 (0.81) P2RY1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL13063448 0.75 P2RY1 (0.61) P2RY1RAB9ANPC1SMN1; SMN2PKM
SCHEMBL11724397 0.75 PARP14 (0.55) P2RY1RAB9ANPC1SMN1; SMN2PKM
SCHEMBL9469328 0.75 P2RY1 (0.57) P2RY1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7936643 0.75 P2RY1 (0.54) P2RY1RAB9ANPC1SMN1; SMN2MAPT

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 2/4885RAB9A 3132/4885NPC1 3676/4885

“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.