SCHEMBL4050698

SCHEMBL4050698

CCn1nc(-c2cncc(C)c2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
TP53 P04637 4/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP11B2 P19099 2/20 0.44
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 1/20 0.40
MET P08581 2/20 0.40
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
TYRO3 Q06418 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP2D6 P10635 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8443792 0.84 MEN1 (0.44) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL11241111 0.80 CYP11B2 (0.47) CYP11B2CYP11B1HRH3
SCHEMBL4053217 0.80 CYP11B2 (0.42) CYP11B2CYP11B1
SCHEMBL4057475 0.79 TBXAS1 (0.55) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4061176 0.76 MAPT (0.52) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL4054124 0.76 KDM4E (0.47) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL4054492 0.74 HTT (0.62) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL17850432 0.74 MET (0.54) MEN1KMT2ATP53HTTMET
SCHEMBL4052356 0.73 PDE4B (0.40) MAPT
Bromide SCHEMBL5751833 0.73 HTT (0.61) MEN1KMT2ATP53KDM4EALDH1A1

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 MEN1 4864/4885KMT2A 1928/4885TP53 4507/4885

“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.