SCHEMBL169871

SCHEMBL169871

C=CCNc1ccc2cccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 2/20 0.41
HCAR3 P49019 1/20 0.41
NPC1 O15118 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CDK2 P24941 2/20 0.41
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
GSK3B P49841 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL23639082 0.78 POLB (0.45) ALDH1A1KDM4ESMN1; SMN2HTTHPGD
SCHEMBL31497277 0.76 NCF1 (0.55) SLC2A1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL1592724 0.76 NCF1 (0.55) SLC2A1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL14237602 0.74 FABP1 (0.57) ALDH1A1KDM4ESMN1; SMN2HTTHPGD
SCHEMBL7174094 0.73 SLC2A1 (0.46) SLC2A1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL547309 0.72 TLR8 (0.48) ALDH1A1HCAR3NPC1CDK2CDC7
SCHEMBL15223284 0.72 NCF1 (0.53) ALDH1A1KDM4ESMN1; SMN2HTTHPGD
SCHEMBL1602180 0.72 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL1002291 0.72 SLC2A1 (0.58) SLC2A1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL27532275 0.72 MEN1 (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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 (1 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT SLC2A1 4068/4885ALDH1A1 677/4885KDM4E 1231/4885

“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.