SCHEMBL2289799

SCHEMBL2289799

c1cnc2cc(-c3ccncc3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
ATAD2 Q6PL18 1/20 0.47
CCNB2 O95067 7/20 0.46
CDK1 P06493 7/20 0.46
CCNB1 P14635 7/20 0.46
CCNB3 Q8WWL7 7/20 0.46
GSK3A P49840 6/20 0.46
GSK3B P49841 6/20 0.46
CDK5 Q00535 4/20 0.46
CDK5R1 Q15078 4/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
CYP19A1 P11511 1/20 0.42
NPY5R Q15761 1/20 0.41
CDC7 O00311 1/20 0.41
MAPK14 Q16539 1/20 0.40
NPC1 O15118 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
SCHEMBL6489332 0.87 CCNB2 (0.61) DAOATAD2CCNB2CDK1CCNB1
SCHEMBL2284708 0.83 CCNB2 (0.61) DAOATAD2CCNB2CDK1CCNB1
SCHEMBL18446575 0.78 DYRK1A (0.60)
SCHEMBL18443332 0.76 CLK2 (0.60)
SCHEMBL18445370 0.75 CLK2 (0.59) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL18453962 0.75 DYRK1A (0.50)
SCHEMBL23207344 0.74 QPCT (0.55) DAOATAD2KDM4EALDH1A1NPC1
SCHEMBL2062264 0.74 NPC1 (0.71) GSK3BCDK5CDK5R1KDM4EALDH1A1
SCHEMBL29584517 0.74 NPC1 (0.71) GSK3BCDK5CDK5R1KDM4EALDH1A1
SCHEMBL1780235 0.74 CCNB2 (0.73) CCNB2CDK1CCNB1CCNB3GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084395-B2 4-aza indole derivatives and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US disclosed
EP-2136640-A2 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngeta Participations AG (CH) 2009-12-30 EP disclosed
WO-2008132434-A2 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-11-06 WO disclosed
CN-1279682-A bicyclic kinase inhibitors HOFFMANN LA ROCHE (CH) 2001-01-10 CN 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 (2 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-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES IDO1, INMT, AZI2 DAO 46/4885ATAD2 2468/4885CCNB2 2235/4885
US-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET DAO 1117/4885ATAD2 2521/4885CCNB2 265/4885

“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.