SCHEMBL116003

SCHEMBL116003

NC(=O)C1(N)N=c2ccccc2=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 1/20 0.36
PARP1 P09874 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
METAP2 P50579 1/20 0.34
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.31
HCRTR1 O43613 1/20 0.31
KMT2A Q03164 2/20 0.30
GAA P10253 2/20 0.30

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
SCHEMBL15136482 0.82 MAPT (0.36) MAPTTSHRHSD17B10POLBCYP3A4
SCHEMBL11176774 0.72 MEN1 (0.32) MAPTTSHRHSD17B10POLBCYP3A4
SCHEMBL6890974 0.72 MAPT (0.37) MAPTTSHRHSD17B10POLBCYP3A4
SCHEMBL11374577 0.69 ALOX15 (0.31) TSHR
SCHEMBL11093099 0.68 CTSD (0.34) MAPTTSHRHSD17B10POLBCYP3A4
SCHEMBL17784279 0.67 NPSR1 (0.37) MAPTTSHRHSD17B10POLBCYP3A4
SCHEMBL149345 0.67 TSHR (0.34) MAPTTSHRHSD17B10TDP1KDM4E
SCHEMBL31347802 0.65 KDM1A (0.35) LMNA
SCHEMBL2297877 0.65 KDM4E (0.32) MAPTKDM4ELMNAHCRTR1
SCHEMBL3356415 0.64 KDM4E (0.32) MAPTTSHRHSD17B10POLBCYP3A4

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 11 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-2424533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP 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
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

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 MAPT 9/4885TSHR 4410/4885HSD17B10 1985/4885
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP MAPT 10/4885TSHR 4628/4885HSD17B10 2754/4885
US-20120101125-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP MAPT 7/4885TSHR 4855/4885HSD17B10 1353/4885

“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.