SCHEMBL1200696

SCHEMBL1200696

O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1cc(OCCC2CCCC2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGES O14684 3/20 0.36
PARP1 P09874 5/20 0.35
PARP2 Q9UGN5 5/20 0.35
CDK12 Q9NYV4 4/20 0.35
KDR P35968 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
SYK P43405 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5 Q00535 1/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
ROCK2 O75116 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
SCHEMBL1202240 0.90 RIPK1 (0.39) RIPK1NPC1RAB9ASMN1; SMN2PTGES
SCHEMBL4235628 0.89 RIPK1 (0.41) RIPK1NPC1RAB9ASMN1; SMN2PARP1
SCHEMBL1201098 0.86 HPGDS (0.38) RIPK1NPC1RAB9ASMN1; SMN2PARP1
SCHEMBL1201634 0.81 RIPK1 (0.40) RIPK1NPC1RAB9ASMN1; SMN2PARP1
SCHEMBL1202540 0.78 ABL1 (0.41) RIPK1NPC1RAB9APARP1PARP2
SCHEMBL1201739 0.78 PARP1 (0.40) RIPK1NPC1RAB9ASMN1; SMN2PARP1
SCHEMBL1200975 0.78 MAOB (0.45) NPC1RAB9ASMN1; SMN2PARP1MAOB
SCHEMBL4242677 0.77 RIPK1 (0.42) RIPK1NPC1RAB9ASMN1; SMN2PARP1
SCHEMBL8258916 0.77 MAOB (0.47) NPC1RAB9ASMN1; SMN2PARP1MAOB
SCHEMBL1202393 0.77 NPC1 (0.37) RIPK1NPC1RAB9ASMN1; SMN2PTGES

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
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-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 RIPK1 3079/4885NPC1 188/4885RAB9A 2719/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP RIPK1 2536/4885NPC1 190/4885RAB9A 2474/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RIPK1 3079/4885NPC1 188/4885RAB9A 2719/4885

“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.