SCHEMBL2875320

SCHEMBL2875320

O=[N+]([O-])c1cccnc1-c1cc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.48
PDE10A Q9Y233 1/20 0.48
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PDE4D Q08499 1/20 0.39
MDM4 O15151 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
SCHEMBL574401 0.78 ERN1 (0.53) ERN1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL15260648 0.76 CYP19A1 (0.49) CYP19A1CA1CA2CA9CKS1B
SCHEMBL29177680 0.75 CYP19A1 (0.48) CYP19A1CA1CA2CA9CKS1B
SCHEMBL29986368 0.75 CYP19A1 (0.48) CYP19A1CKS1BSKP2APP
SCHEMBL28401036 0.75 CYP19A1 (0.48) CYP19A1CA1CA2CA9APP
SCHEMBL6512953 0.75 PDE10A (0.60) PDE10AALDH1A1MAPTL3MBTL1HSP90AA1
SCHEMBL29940575 0.75 PDE10A (0.60) PDE10AALDH1A1MAPTL3MBTL1HSP90AA1
SCHEMBL3048215 0.74 CYP19A1 (0.48) ERN1CYP19A1CA1CA2CA9
SCHEMBL2880254 0.74 IKBKB (0.42) CYP19A1CA1CA2CA9KDM4E
SCHEMBL5670993 0.74 CYP19A1 (0.47) CYP19A1CA1CA2CA9CKS1B

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 5 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 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
EP-1899299-A2 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Brystol-Myers Squibb Company (US) 2008-03-19 EP 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 ERN1 1750/4885PDE10A 338/4885CYP19A1 4165/4885

“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.