SCHEMBL116004

SCHEMBL116004

NC(=O)n1c(N)nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.68
RAB9A P51151 7/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
KDM4E B2RXH2 5/20 0.60
PKM P14618 2/20 0.60
LMNA P02545 2/20 0.60
NOD1 Q9Y239 2/20 0.60
POLB P06746 2/20 0.60
ASAH1 Q13510 6/20 0.57
IDO1 P14902 1/20 0.56
TNF P01375 1/20 0.55
NOD2 Q9HC29 1/20 0.55
NOS2 P35228 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL11804770 0.83 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7394357 0.80 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7400036 0.80 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28561602 0.80 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11702245 0.80 L3MBTL1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17360619 0.80 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL843331 0.79 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6890976 0.77 KDM4E (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11830006 0.77 L3MBTL1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6234453 0.77 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450354-B2 Substituted imidazo[1,2-b]pyridazine derivatives, pharmaceutical compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-05-28 US disclosed
EP-2549874-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2013-01-30 EP disclosed
US-8350039-B2 Substituted isoquinoline derivatives, pharmaceutical compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-08 US disclosed
US-20120101125-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
EP-2424533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
WO-2011119465-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-09-29 WO disclosed
US-20110237570-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-09-29 US disclosed
WO-2010126743-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 WO disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 WO disclosed
US-4053598-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US 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 (3 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-20110237570-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, PSEN1 NPC1 382/4885RAB9A 2883/4885SMN1; SMN2 467/4885
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP NPC1 289/4885RAB9A 2165/4885SMN1; SMN2 585/4885
US-20120101125-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP NPC1 86/4885RAB9A 2295/4885SMN1; SMN2 922/4885

“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.