SCHEMBL4059530

SCHEMBL4059530

COc1cc(Cl)c(CC(C)=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL10863254 0.84 CYP3A4 (0.59) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL25281976 0.81 CYP3A4 (0.76) CYP3A4MAPTSMN1; SMN2TAAR1
SCHEMBL16870383 0.81 CYP3A4 (0.65) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4056768 0.81 ALDH1A1 (0.40) CYP3A4MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL12551767 0.80 TAAR1 (0.43) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10862987 0.80 CYP3A4 (0.64) CYP3A4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4061805 0.79 PDE4A (0.47) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4056315 0.77 TAAR1 (0.43) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1753946 0.75 TAAR1 (0.50) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3323483 0.74 HSD17B10 (0.53) CYP3A4MAPTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US disclosed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP disclosed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB CYP3A4 965/4885MAPT 4252/4885MEN1 4011/4885

“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.