SCHEMBL4055063

SCHEMBL4055063

CCn1nc(-c2ccccc2)c(-c2csc(-c3ccc(OC)cc3)n2)c(N)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 5/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.42
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
HPGD P15428 1/20 0.40

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 0.92 ADORA3 (0.48) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4055442 0.88 GNRHR (0.44) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5752624 0.88 KDM4E (0.48) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5236994 0.82 ADORA1 (0.47) CYP19A1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4052865 0.81 ADORA3 (0.48) RAB9ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4049594 0.80 CYP19A1 (0.52) CYP19A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4049566 0.79 CYP19A1 (0.46) CYP19A1CDC25ACDC25BNPC1RAB9A
SCHEMBL4052369 0.79 CYP19A1 (0.42) CYP19A1CDC25ACDC25BNPC1RAB9A
SCHEMBL4050978 0.77 PDE4A (0.53) SMN1; SMN2KDM4EALDH1A1MAPTMEN1
SCHEMBL6693465 0.72 MAPT (0.75) CYP19A1CDC25ACDC25BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US disclosed
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 CYP19A1 424/4885CDC25A 2014/4885CDC25B 2435/4885

“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.