SCHEMBL1201736

SCHEMBL1201736

O=C(Nc1nc2c(C(=O)NC3CCNCC3)cccc2[nH]1)c1cc2ccccc2cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.52
PARP2 Q9UGN5 4/20 0.42
CDK12 Q9NYV4 3/20 0.42
RET P07949 1/20 0.42
CDK2 P24941 2/20 0.41
CCNA1 P78396 1/20 0.41
PBK Q96KB5 2/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
CDK1 P06493 1/20 0.41
CDK5 Q00535 1/20 0.41
CHRNA7 P36544 1/20 0.40
CHEK1 O14757 1/20 0.40
HTR4 Q13639 1/20 0.39

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
SCHEMBL1201255 0.87 CHRM1 (0.48) PARP1PARP2CDK12MAOBADORA2A
SCHEMBL1202512 0.86 USP30 (0.47) PBKHTR4
SCHEMBL1202239 0.83 PARP1 (0.59) PARP1PARP2CDK12CDK2CDK1
SCHEMBL1202223 0.83 PARP1 (0.45) PARP1PARP2CDK12CDK2CDK1
SCHEMBL8258975 0.82 MAOB (0.46) PARP1PARP2CDK12CDK2MAOB
SCHEMBL1202261 0.82 MAOB (0.51) PARP1MAOBADORA2AADORA2BADORA1
SCHEMBL13639503 0.81 PARP1 (0.49) PARP1PARP2CDK12CDK2MAOB
SCHEMBL1202232 0.81 ABL1 (0.48) PARP1PARP2PBK
SCHEMBL1200936 0.80 REN (0.38) PARP1PARP2CDK12CDK2MAOB
SCHEMBL1201966 0.80 PBK (0.48) PBKCHEK1

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-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
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 1741/4885PARP2 2000/4885CDK12 3655/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP PARP1 1611/4885PARP2 1729/4885CDK12 3586/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PARP1 1741/4885PARP2 2000/4885CDK12 3655/4885

“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.