SCHEMBL4246331

SCHEMBL4246331

Nc1nc2c(C(=O)Nc3cnc4ccccc4c3)cccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.57
TMPRSS4 Q9NRS4 1/20 0.52
FLT1 P17948 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 3/20 0.50
MITF O75030 1/20 0.50
XBP1 P17861 1/20 0.50
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4246328 0.87 KDR (0.55) KDRTMPRSS4FLT1NPC1RAB9A
SCHEMBL11428622 0.82 PRKCI (0.50) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL1202141 0.81 KDR (0.53) KDRTMPRSS4FLT1NPC1RAB9A
SCHEMBL845883 0.80 KDR (0.66) KDRTMPRSS4FLT1NPC1RAB9A
SCHEMBL4244339 0.79 LMNA (0.50) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL4246152 0.78 DHODH (0.52) KDRNPC1RAB9AALDH1A1MITF
SCHEMBL4238207 0.78 MAOB (0.62) NPC1RAB9ACLK2DYRK1A
SCHEMBL23258481 0.77 KDR (0.66) KDRTMPRSS4FLT1NPC1RAB9A
SCHEMBL4235729 0.77 IMPDH2 (0.49)
SCHEMBL4239822 0.77 RXFP1 (0.45) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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 KDR 4548/4885TMPRSS4 250/4885FLT1 4419/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KDR 4548/4885TMPRSS4 250/4885FLT1 4419/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KDR 4548/4885TMPRSS4 250/4885FLT1 4419/4885

“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.