SCHEMBL3036670

SCHEMBL3036670

Cc1onc2c(=O)[nH]nc(-c3cccnc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.45
IDO1 P14902 1/20 0.43
LRRK2 Q5S007 1/20 0.43
ALK Q9UM73 1/20 0.43
PIM1 P11309 3/20 0.42
ALPL P05186 1/20 0.42
BTK Q06187 1/20 0.40
CYP2A6 P11509 1/20 0.39
TTK P33981 1/20 0.39
AXL P30530 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
BRD4 O60885 2/20 0.38
BRD2 P25440 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL994138 0.85 MAPT (0.49) ALDH1A1KDM4E
SCHEMBL4681966 0.84 MAPT (0.38) ALDH1A1
SCHEMBL3028596 0.81 NOTUM (0.45) LRRK2ALKPIM1ALDH1A1CYP1A2
SCHEMBL3032907 0.79 NOTUM (0.43) ALDH1A1BRD4ADORA3
SCHEMBL2821218 0.79 CACNA1F (0.41) ALDH1A1POLBKDM4E
SCHEMBL3033106 0.79 PTGS1 (0.50) ALDH1A1BRD4ADORA3
SCHEMBL3033408 0.77 PTGS2 (0.42) ALPLALDH1A1BRD4KDM4E
SCHEMBL3029374 0.77 GAA (0.48) ALDH1A1
SCHEMBL4708510 0.75 ROCK1 (0.36) ALDH1A1
SCHEMBL3027304 0.75 KIT (0.38) ALDH1A1BRD4BRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 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 (3 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B MAP2K4 1966/4885IDO1 715/4885LRRK2 2648/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B MAP2K4 2112/4885IDO1 798/4885LRRK2 2939/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B MAP2K4 1966/4885IDO1 715/4885LRRK2 2648/4885

“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.