SCHEMBL4670546

SCHEMBL4670546

Nc1ccc(-n2ncccc2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
HRH3 Q9Y5N1 3/20 0.43
KCNH2 Q12809 1/20 0.43
POLB P06746 2/20 0.41
CYP2C9 P11712 7/20 0.41
CYP2C18 P33260 5/20 0.41
CYP2C19 P33261 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C8 P10632 4/20 0.39
DHODH Q02127 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
SCHEMBL3043828 0.82 CA12 (0.61) CA12CA1CA2CA9HRH3
SCHEMBL29151066 0.81 CA1 (0.60) CA12CA1CA2CA9HRH3
SCHEMBL29151055 0.81 CA1 (0.60) CA12CA1CA2CA9HRH3
SCHEMBL30745149 0.81 CA12 (0.60) CA12CA1CA2CA9HRH3
SCHEMBL15105004 0.80 CA12 (0.59) CA12CA1CA2CA9HRH3
SCHEMBL4787441 0.79 CA12 (0.58) CA12CA1CA2CA9HRH3
SCHEMBL7835884 0.79 CA1 (1.00) CA12CA1CA2CA9
SCHEMBL10690822 0.79 CA12 (0.54) CA12CA1CA2CA9HRH3
SCHEMBL1725269 0.77 CA12 (0.55) CA12CA1CA2CA9HRH3
SCHEMBL3058496 0.77 CA1 (0.55) CA12CA1CA2CA9HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105992768-A Imidazopyridazine compounds useful as modulators of il-12, il-23 and/or ifn alpha responses 百时美施贵宝公司 2016-10-05 CN disclosed
EP-1497269-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2008-04-23 EP disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
EP-1497269-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES Bayer HealthCare AG (DE) 2005-01-19 EP disclosed
WO-2003097612-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2003-11-27 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-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones PIR, TPMT, PNPO CA12 4585/4885CA1 4770/4885CA2 3352/4885

“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.