SCHEMBL3094558

SCHEMBL3094558

O=c1cccnn1-c1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HRH3 Q9Y5N1 4/20 0.36
KCNH2 Q12809 1/20 0.36
CYP11B2 P19099 2/20 0.36
P2RX7 Q99572 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
ALOX5 P09917 1/20 0.34
F10 P00742 1/20 0.34
KAT6A Q92794 1/20 0.33

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
SCHEMBL29488639 0.86 CA12 (0.47) CA12CA1CA2CA9HRH3
SCHEMBL14955412 0.84 CA12 (0.49) CA12CA1CA2CA9CYP3A4
SCHEMBL29151055 0.83 CA1 (0.60) CA12CA1CA2CA9HRH3
SCHEMBL2326300 0.78 CA12 (0.50) CA12CA1CA2CA9CYP3A4
SCHEMBL3043828 0.76 CA12 (0.61) CA12CA1CA2CA9CYP2C9
SCHEMBL3346872 0.75 CA1 (0.51) CA12CA1CA2CA9CYP3A4
SCHEMBL6525689 0.75 CA12 (0.44) CA12CA1CA2CA9CYP3A4
SCHEMBL25223687 0.74 CA12 (0.50) CA12CA1CA2CA9CYP3A4
SCHEMBL3479590 0.73 HRH3 (0.40) CA12CA1CA2CA9CYP3A4
SCHEMBL29488646 0.73 CA12 (0.49) CA12CA1CA2CA9SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284300-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-08 US disclosed
US-8927540-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-01-06 US disclosed
US-8921357-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-12-30 US disclosed
US-8580781-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-11-12 US disclosed
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 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 (4 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-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CA12 4625/4885CA1 4613/4885CA2 3480/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CA12 4631/4885CA1 4594/4885CA2 3489/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CA12 4631/4885CA1 4594/4885CA2 3489/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 CA12 4693/4885CA1 4660/4885CA2 3695/4885

“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.