SCHEMBL1572091

SCHEMBL1572091

CC1(C)CN(c2ccccc2N)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
ADRA2C P18825 1/20 0.46
P2RY1 P47900 4/20 0.45
GAA P10253 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
CNR2 P34972 1/20 0.40
KEAP1 Q14145 1/20 0.40
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 2/20 0.37
HTR2C P28335 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL1572418 0.82 ADRA2C (0.47) NOTUMADRA2CP2RY1GAAMEN1
SCHEMBL18054866 0.81 NOTUM (0.49) NOTUMP2RY1MEN1KMT2ATP53
SCHEMBL3304748 0.79 NOTUM (0.50) NOTUMADRA2CP2RY1GAAMEN1
SCHEMBL1572732 0.79 P2RY1 (0.48) NOTUMADRA2CP2RY1KDM4ECNR2
SCHEMBL28133419 0.76 P2RY1 (0.46) NOTUMP2RY1MEN1KMT2ACNR2
SCHEMBL13228885 0.76 NOTUM (0.47) NOTUMP2RY1KMT2ACNR2SLC6A2
SCHEMBL1571911 0.75 P2RY1 (0.55) NOTUMP2RY1GAAMEN1KMT2A
SCHEMBL17461311 0.75 NOTUM (0.53) NOTUMP2RY1MEN1KMT2AKDM4E
SCHEMBL13068160 0.75 NOTUM (0.53) NOTUMP2RY1MEN1KMT2AKDM4E
SCHEMBL11270522 0.74 AKT1 (0.55) NOTUMADRA2CP2RY1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
EP-1896466-B1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
WO-2007002637-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060293281-A1 N-linked heterocyclic 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-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 NOTUM 4169/4885ADRA2C 272/4885P2RY1 1/4885
US-20060293281-A1 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY13 NOTUM 4169/4885ADRA2C 272/4885P2RY1 1/4885

“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.