SCHEMBL4052121

SCHEMBL4052121

O=C(Nc1[c]cccc1)C1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.43
PSMB8 P28062 2/20 0.43
HTR2C P28335 4/20 0.42
HTR2B P41595 2/20 0.42
SCN3A Q9NY46 2/20 0.41
SCN9A Q15858 1/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
ROCK2 O75116 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4164626 0.78 ELANE (0.45) CTSCHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL3769622 0.77 HPGD (0.56) HDAC2HDAC3HDAC1
SCHEMBL9352214 0.77 HPGD (0.56) CTSCPSMB8HTR2CHTR2BSCN3A
SCHEMBL2392383 0.77 HPGD (0.56) CTSCPSMB8HTR2CHTR2BSCN3A
SCHEMBL2172641 0.77 HPGD (0.56) CTSCPSMB8HTR2CHTR2BSCN3A
SCHEMBL7044143 0.77 HPGD (0.51) HDAC2HDAC3HDAC1
SCHEMBL1921108 0.77 GAA (0.49) HDAC2HDAC3HDAC1
SCHEMBL3282828 0.77 SMN1; SMN2 (0.43) PSMB8HTR2CSCN3ASCN9AHDAC2
SCHEMBL3282830 0.77 SMN1; SMN2 (0.43) PSMB8HTR2CSCN3ASCN9AHDAC2
SCHEMBL3282834 0.77 SMN1; SMN2 (0.43) PSMB8HTR2CSCN3ASCN9AHDAC2

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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US claimed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO claimed
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 CTSC 1566/4885PSMB8 4213/4885HTR2C 3476/4885

“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.