SCHEMBL4235147

SCHEMBL4235147

Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
CDK5 Q00535 4/20 0.42
CDK5R1 Q15078 4/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKN1 Q16512 2/20 0.41
PKN2 Q16513 2/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
PIM1 P11309 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PAX8 Q06710 1/20 0.39
NUDT1 P36639 1/20 0.38
CAMK2G Q13555 2/20 0.38
DYRK1A Q13627 2/20 0.38

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
SCHEMBL4235143 0.86 PARP1 (0.51) PARP1PKN1PKN2PIM1CAMK2G
SCHEMBL1202063 0.84 PARP1 (0.44) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL4235597 0.83 PTGES (0.38) CDK5CDK5R1PTGES
SCHEMBL8258916 0.81 MAOB (0.47) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL1202218 0.81 PTGES (0.41) NPC1RAB9AMEN1KMT2APTGES
SCHEMBL1201169 0.81 NPC1 (0.41) NPC1RAB9AMEN1KMT2APKM
SCHEMBL4244315 0.80 TBK1 (0.39) PARP1CDK5CDK5R1PKN1PKN2
SCHEMBL1202114 0.80 NPC1 (0.58) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL4244510 0.80 PTGES (0.46) NPC1RAB9APKMSMN1; SMN2AURKB
SCHEMBL8259014 0.79 MAOB (0.43) PARP1CDK5NPC1RAB9AMEN1

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-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PARP1 1741/4885CDK5 299/4885CDK5R1 644/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PARP1 1741/4885CDK5 299/4885CDK5R1 644/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PARP1 1741/4885CDK5 299/4885CDK5R1 644/4885

“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.