SCHEMBL4246271

SCHEMBL4246271

Nc1nc2c(C(=O)Nc3cccnc3)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
IDO1 P14902 1/20 0.53
CYP11B2 P19099 2/20 0.52
PRKCI P41743 1/20 0.51
KDR P35968 1/20 0.50
EGLN1 Q9GZT9 1/20 0.49
POLB P06746 1/20 0.49
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49
TSHR P16473 1/20 0.49
CYP11B1 P15538 1/20 0.48
LMNA P02545 2/20 0.48
HIF1A Q16665 1/20 0.48
CLK2 P49760 1/20 0.48
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL11428622 0.86 PRKCI (0.50) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL4246266 0.86 PKN1 (0.53) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL4235729 0.83 IMPDH2 (0.49)
SCHEMBL4244339 0.80 LMNA (0.50) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL4239209 0.79 IRAK4 (0.52) KDM4EMEN1KMT2APKN1PKN2
SCHEMBL13551103 0.78 PKN1 (0.55) ALDH1A1HPGDIDO1PKN1PKN2
SCHEMBL5820733 0.78 NAMPT (0.58) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL12673140 0.77 CLK2 (0.48) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL4248326 0.77 CSNK2A1 (0.55) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4238207 0.77 MAOB (0.62) POLBCLK2NPC1RAB9A

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
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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 ALDH1A1 1717/4885KDM4E 3510/4885MEN1 2918/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885KDM4E 3510/4885MEN1 2918/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885KDM4E 3510/4885MEN1 2918/4885

“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.