SCHEMBL1201982

SCHEMBL1201982

c1cc2cc3c(cc2cn1)OCCO3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
IDO1 P14902 1/20 0.43
HSF1 Q00613 1/20 0.42
CLK1 P49759 2/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
DYRK1A Q13627 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
PRKCZ Q05513 1/20 0.40
PIM1 P11309 2/20 0.40
HASPIN Q8TF76 2/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 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
SCHEMBL1201537 0.87 GAA (0.46) IDO1CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL30466406 0.87 GAA (0.46) IDO1CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL4036768 0.78 CLK1 (0.57) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL445516 0.78 CLK1 (0.57) CLK1CSNK1DCSNK1EDYRK1APRKCZ
Isoquinoline SCHEMBL3691138 0.78 ITGB2 (0.54) CYP11B1CYP11B2IDO1HSF1GAA
SCHEMBL22744603 0.76 SSTR4 (0.40) CLK1PRKCZPIM1HASPINCCNT1
SCHEMBL22743798 0.76 SSTR4 (0.40) CLK1PRKCZPIM1HASPINCCNT1
SCHEMBL13156508 0.76 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL13156497 0.76 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL13156496 0.76 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1APRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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-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-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 (4 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 CYP11B1 578/4885CYP11B2 624/4885IDO1 1844/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP CYP11B1 667/4885CYP11B2 744/4885IDO1 2021/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CYP11B1 578/4885CYP11B2 624/4885IDO1 1844/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CYP11B1 578/4885CYP11B2 624/4885IDO1 1844/4885

“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.