SCHEMBL3514857

SCHEMBL3514857

CC(C)(C)NC(=O)NCCC[O]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
EPHX1 P07099 6/20 0.47
KDM4C Q9H3R0 1/20 0.47
CACNA1H O95180 4/20 0.39
BRD4 O60885 2/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
PRMT1 Q99873 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL19164342 0.89 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL19171376 0.89 EPHX1 (0.57) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL19171900 0.86 EPHX1 (0.60) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL19171947 0.86 EPHX1 (0.60) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL3512598 0.86 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL19171880 0.84 EPHX1 (0.53) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL19171338 0.84 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL3514860 0.83 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL9660162 0.83 EPHX1 (0.61) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL20017302 0.81 NPC1 (0.55) NPC1RAB9AMAPTSMN1; SMN2EPHX1

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 3 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
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB NPC1 1148/4885RAB9A 1851/4885MAPT 4503/4885

“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.