SCHEMBL1201872

SCHEMBL1201872

O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1cncc(OC2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
RIPK1 Q13546 1/20 0.40
PARP1 P09874 5/20 0.39
PARP2 Q9UGN5 5/20 0.39
CDK12 Q9NYV4 4/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
DYRK1A Q13627 4/20 0.38
CLK2 P49760 3/20 0.38
CLK3 P49761 3/20 0.38
MAOB P27338 2/20 0.38
ADORA2A P29274 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GSK3B P49841 1/20 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
SCHEMBL1201739 0.90 PARP1 (0.40) HPGDSRIPK1PARP1PARP2CDK12
SCHEMBL1201098 0.88 HPGDS (0.38) HPGDSRIPK1PARP1PARP2CDK12
SCHEMBL1201678 0.88 PARP1 (0.40) HPGDSPARP1PARP2CDK12CDK1
SCHEMBL4240686 0.87 RIPK1 (0.44) RIPK1PARP1PARP2CDK12CDK1
SCHEMBL1202462 0.86 HPGDS (0.41) HPGDSRIPK1PARP1PARP2CDK12
SCHEMBL1200859 0.85 RAB9A (0.44) HPGDSRAB9ASMN1; SMN2NPC1PKM
SCHEMBL1202007 0.85 RAB9A (0.48) HPGDSRAB9ASMN1; SMN2NPC1PKM
SCHEMBL1202492 0.84 HPGDS (0.43) HPGDSRIPK1RAB9ASMN1; SMN2NPC1
SCHEMBL1202025 0.83 HPGDS (0.42) HPGDSRAB9ASMN1; SMN2NPC1PKM
SCHEMBL1201290 0.83 SIRT2 (0.47) MAOBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HPGDS 2231/4885RIPK1 3079/4885PARP1 1741/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP HPGDS 2366/4885RIPK1 2536/4885PARP1 1611/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HPGDS 2231/4885RIPK1 3079/4885PARP1 1741/4885

“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.