SCHEMBL2473185

SCHEMBL2473185

CCOc1cc(NN)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.37
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
SYK P43405 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL5330498 0.83 ACACB (0.38) ACACBLOXLOXL2SYKGABRP
SCHEMBL19030677 0.80 FERMT2 (0.40) ACACBLOXLOXL2SYKGAA
Hydrochloric Acid SCHEMBL16633079 0.79 LOX (0.50) LOXLOXL2
SCHEMBL171947 0.76 TP53 (0.48) ACACBLOXLOXL2TP53CYP3A4
SCHEMBL164636 0.75 ACACB (0.37) ACACBLOXLOXL2MAPK1NPC1
SCHEMBL23059581 0.73 ALDH1A1 (0.47) MAPK1NPC1ALDH1A1RAB9AGABRA1
SCHEMBL2993048 0.73 KDM4E (0.49) ACACBCYP3A4NPC1ALDH1A1RAB9A
SCHEMBL129096 0.72 UHRF1 (0.48) ACACBLOXLOXL2NPC1ALDH1A1
SCHEMBL3817033 0.72 NQO1 (0.48) TP53CYP3A4NPC1ALDH1A1LMNA
SCHEMBL20962582 0.72 MAPT (0.47) ACACBMAPK1ALDH1A1HPGD

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
CN-102239162-B Pyridazinone derivatives HOFFMANN LA ROCHE 2014-05-28 CN disclosed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
CN-102239162-A Pyridazinone derivatives HOFFMANN LA ROCHE 2011-11-09 CN disclosed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 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-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A ACACB 2843/4885LOX 2562/4885LOXL2 3573/4885

“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.