SCHEMBL4059984

SCHEMBL4059984

CCn1nc(-c2cccnc2)cc(N)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.56
CYP2C19 P33261 4/20 0.50
CYP2A6 P11509 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2E1 P05181 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP3A4 P08684 2/20 0.50
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
BACE1 P56817 1/20 0.43
AURKA O14965 1/20 0.43
TTK P33981 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL4053270 0.85 SMN1; SMN2 (0.49) TBXAS1ADORA2APOLBKMT2AALDH1A1
SCHEMBL4053231 0.84 AURKB (0.48) TBXAS1CYP2C19CYP2C9CYP3A4CYP1A2
SCHEMBL4053682 0.81 CYP2A6 (0.49) CYP2C19CYP2A6CYP2C9CYP2E1CYP2B6
SCHEMBL4053217 0.81 CYP11B2 (0.42) TBXAS1CYP11B1CYP11B2ADORA2APDE4B
SCHEMBL4062839 0.81 PRMT5 (0.36) TBXAS1ADORA2APOLBKMT2AALDH1A1
SCHEMBL4061285 0.81 NPC1 (0.47) TLR8ADORA2AKMT2AKDM4EALDH1A1
SCHEMBL4057475 0.80 TBXAS1 (0.55) TBXAS1CYP2C19CYP2A6CYP2C9CYP2E1
SCHEMBL4055321 0.80 HDAC1 (0.45) BACE1TLR8ADORA2AHDAC1POLB
SCHEMBL2824627 0.80 PDE4B (0.53) BACE1ADORA2APOLBHPGDKMT2A
SCHEMBL2823264 0.80 PDE4B (0.43) TBXAS1CYP11B2ADORA2AKMT2AKDM4E

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 5 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
CN-1878759-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL PRODESFARMA SA (ES) 2006-12-13 CN disclosed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO 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 TBXAS1 498/4885CYP2C19 50/4885CYP2A6 137/4885

“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.