SCHEMBL4051471

SCHEMBL4051471

CCn1nc(-c2cccs2)c(C(=O)OCc2ccc(F)cc2)c(Nc2cnccc2C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HIF1A Q16665 3/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 4/20 0.35
CYP2C19 P33261 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
USP2 O75604 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
CYP2C9 P11712 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HBB P68871 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
SCHEMBL4051583 0.93 ADORA1 (0.39) ADORA1ALDH1A1HIF1AHPGDNPSR1
SCHEMBL4050815 0.92 ALDH1A1 (0.37) ADORA1ALDH1A1HIF1AHPGDNPSR1
SCHEMBL4053216 0.90 NPSR1 (0.44) ADORA1ALDH1A1HIF1AHPGDNPSR1
SCHEMBL4051768 0.88 ADORA1 (0.36) ADORA1ALDH1A1HIF1AHPGDNPSR1
SCHEMBL4058345 0.88 ADORA1 (0.38) ADORA1ALDH1A1HIF1ACYP1A2CYP2C19
SCHEMBL5265041 0.87 ALDH1A1 (0.36) ADORA1ALDH1A1HIF1AHPGDNPSR1
SCHEMBL4054505 0.87 ADORA1 (0.40) ADORA1ALDH1A1HIF1AHPGDNPSR1
SCHEMBL4054290 0.87 ADORA1 (0.38) ADORA1ALDH1A1HIF1ACYP1A2CYP2C19
SCHEMBL4053855 0.86 PDE4B (0.33) ADORA1ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL4053868 0.86 ALDH1A1 (0.40) ADORA1ALDH1A1HIF1AHPGDNPSR1

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-20090029996-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) 2009-01-29 US claimed
US-20090029996-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) 2009-01-29 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-20090029996-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, PDE4B ADORA1 311/4885ALDH1A1 324/4885HIF1A 1470/4885

“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.