SCHEMBL4054124

SCHEMBL4054124

CCn1nc(-c2ccc(C)nc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
TP53 P04637 3/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.42
CYP2D6 P10635 1/20 0.40
MET P08581 1/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 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
SCHEMBL26847489 0.83 HDAC3 (0.39) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL4062839 0.80 PRMT5 (0.36) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4057475 0.78 TBXAS1 (0.55) KDM4EALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL24035608 0.78 MEN1 (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL10194702 0.78 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL10196841 0.77 GAA (0.40) KDM4EALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL4054492 0.77 HTT (0.62) KDM4EALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL11402474 0.76 MEN1 (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL4050698 0.76 MEN1 (0.46) KDM4EALDH1A1SMN1; SMN2HSD17B10TSHR
Bromide SCHEMBL5751833 0.76 HTT (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10TSHR

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 KDM4E 571/4885ALDH1A1 193/4885SMN1; SMN2 4800/4885

“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.