SCHEMBL3514977

SCHEMBL3514977

COc1ccc(-c2ccc(-c3ccc4nc(C)c(Br)n4n3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
HPGD P15428 5/20 0.54
ALDH1A1 P00352 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
PKM P14618 1/20 0.54
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
MAPT P10636 5/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
ALDH1A3 P47895 2/20 0.47
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.44
MET P08581 1/20 0.43
LMNA P02545 1/20 0.43
ABCB1 P08183 1/20 0.42

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
SCHEMBL4055400 0.84 KDM4E (0.56) KDM4EHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL3514270 0.81 BRD4 (0.62) KDM4EHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL12990087 0.78 FYN (0.49) KDM4EHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL3514707 0.77 KCNH2 (0.49) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL3512452 0.75 BRD4 (0.52) HPGDALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL4055601 0.75 JAK2 (0.47) KDM4EHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL3513815 0.74 DYRK1A (0.64) KDM4EHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL27225890 0.74 KDM4E (0.46) KDM4EHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL4055384 0.73 RAB9A (0.46) KDM4EHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL23748001 0.71 KDM4E (0.46) KDM4EHPGDALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP 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
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO 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 (2 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB KDM4E 898/4885HPGD 2826/4885ALDH1A1 1154/4885
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB KDM4E 866/4885HPGD 2410/4885ALDH1A1 948/4885

“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.