SCHEMBL4063012

SCHEMBL4063012

Cc1ccc[c]c1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
METAP1 P53582 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
NPC1 O15118 7/20 0.44
PDE10A Q9Y233 1/20 0.42
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
RAB9A P51151 5/20 0.41
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41

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
SCHEMBL7265635 0.80 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3363096 0.79 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7845170 0.79 CYP2D6 (0.34) LMNACYP1A2GSK3BTDP1HSP90AA1
SCHEMBL1853430 0.79 NOS3 (0.39) KDM4ECYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL16720807 0.78 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2651777 0.78 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4055597 0.78 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9656806 0.78 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7569351 0.75 TGFBR1 (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL467480 0.75 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8

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 10 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
CN-106905228-B A kind of method that ruthenium catalysis prepares substituted aryl first alcohol compound 浙江工业大学 2019-05-31 CN disclosed
CN-106905228-A A kind of method that ruthenium catalysis prepares substituted aryl first alcohol compound 浙江工业大学 2017-06-30 CN disclosed
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 KDM4E 866/4885LMNA 3641/4885CCR1 4586/4885

“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.