SCHEMBL1921269

SCHEMBL1921269

O=c1[nH]c(Cl)cc2nc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
GDA Q9Y2T3 1/20 0.44
PARP1 P09874 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PNP P00491 2/20 0.41
PDE4A P27815 3/20 0.40
ADORA2A P29274 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
POLA1 P09884 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
HPGD P15428 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
BLM P54132 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37

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
Dezaguanine SCHEMBL29384550 0.77 PNP (0.53) ACHEGDAPARP1ALDH1A1PNP
SCHEMBL906665 0.65 ALDH1A1 (0.52) ACHEGDAPARP1ALDH1A1PDPK1
SCHEMBL20471835 0.65 ALDH1A1 (0.43) PARP1ALDH1A1BLMHSD17B10
SCHEMBL612168 0.65 PNP (0.62) GDAALDH1A1PNPPOLA1
SCHEMBL8237226 0.65 PARP1 (0.47) PARP1ALDH1A1PNPPDPK1CA12
SCHEMBL30545367 0.65 PIM1 (0.48) ACHEGDAPARP1ALDH1A1ADORA2A
Water SCHEMBL9462008 0.64 PNP (0.61) GDAALDH1A1PNPPOLA1
Hydrochloric Acid SCHEMBL9462017 0.64 PNP (0.61) GDAALDH1A1PNPPOLA1
SCHEMBL4034928 0.64 SMN1; SMN2 (0.46) ACHEGDAPARP1ALDH1A1PNP
SCHEMBL29495179 0.64 DPP4 (0.44) GDAPARP1ALDH1A1ADORA3BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
EP-2326666-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-06-01 EP disclosed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 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-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS NPY2R, NPY1R, NPY4R ACHE 3728/4885GDA 4678/4885PARP1 4110/4885

“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.