SCHEMBL4055335

SCHEMBL4055335

Cc1cncc(-c2ccc(=O)[nH]n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP1A2 P05177 2/20 0.51
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
PDE3B Q13370 6/20 0.47
PDE3A Q14432 6/20 0.47
MAPT P10636 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
CYP11B2 P19099 3/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 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
SCHEMBL11628763 0.78 KMT2A (0.64) LMNAMEN1KMT2ACYP1A2PDE4A
SCHEMBL11035831 0.77 LMNA (1.00) LMNAMEN1KMT2ACYP1A2PDE4A
SCHEMBL11245554 0.74 PRMT5 (0.47) LMNACYP1A2PDE3BPDE3AMAPT
SCHEMBL23815328 0.74 CYP2A6 (0.43) PRMT5WDR77CYP11B2ALKCYP11B1
SCHEMBL11156334 0.74 CYP1A2 (0.67) LMNAMEN1KMT2ACYP1A2PDE4A
SCHEMBL11235123 0.74 LMNA (0.62) LMNAMEN1KMT2ACYP1A2PDE4A
SCHEMBL3452908 0.73 LMNA (0.80) LMNAMEN1KMT2ACYP1A2PDE4A
SCHEMBL4052280 0.72 LMNA (0.66) LMNAMEN1KMT2ACYP1A2PDE4A
SCHEMBL12595727 0.72 LMNA (0.66) LMNAMEN1KMT2ACYP1A2PDE4A
SCHEMBL14910773 0.72 CYP11B2 (0.42) MEN1KMT2ACYP1A2PRMT5WDR77

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 9 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
US-4346221-A Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1982-08-24 US disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 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 LMNA 4446/4885MEN1 4864/4885KMT2A 1928/4885

“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.