SCHEMBL5236994

SCHEMBL5236994

CCn1nc(-c2ccccc2)c(-c2csc(-c3ccccn3)n2)c(N)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.47
ADORA2A P29274 1/20 0.47
ADORA3 P0DMS8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
TP53 P04637 1/20 0.38
CYP19A1 P11511 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
SCHEMBL4060177 0.90 ADORA3 (0.48) ADORA1ADORA3SMN1; SMN2KDM4EALDH1A1
SCHEMBL5752624 0.88 KDM4E (0.48) ADORA1ADORA2AADORA3SMN1; SMN2KDM4E
SCHEMBL4055442 0.84 GNRHR (0.44) ADORA1ADORA3SMN1; SMN2KDM4EALDH1A1
SCHEMBL4052865 0.83 ADORA3 (0.48) ADORA1ADORA3SMN1; SMN2KDM4EALDH1A1
SCHEMBL4055063 0.82 CYP19A1 (0.47) ADORA1ADORA2AADORA3SMN1; SMN2KDM4E
SCHEMBL4054464 0.79 ADORA1 (0.40) ADORA1ADORA2AADORA3SMN1; SMN2PDE10A
SCHEMBL4051938 0.77 PDE4A (0.40) ADORA1ADORA2AADORA3SMN1; SMN2PDE4A
SCHEMBL4050978 0.77 PDE4A (0.53) ADORA1ADORA2AADORA3SMN1; SMN2KDM4E
SCHEMBL4051978 0.70 PDE4A (0.49) ADORA1ADORA3SMN1; SMN2KDM4EALDH1A1
SCHEMBL4059371 0.70 PDE4A (0.48) ADORA1ADORA3SMN1; SMN2MAPTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-23 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-20070197536-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease PDE12, PDE4A, PDE7A ADORA1 409/4885ADORA2A 729/4885ADORA3 582/4885

“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.