SCHEMBL163040

SCHEMBL163040

CNc1nnc(-c2ccncc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
ALDH1A1 P00352 10/20 1.00
HPGD P15428 8/20 1.00
HSD17B10 Q99714 5/20 1.00
POLB P06746 2/20 1.00
ALOX15 P16050 1/20 1.00
KMT2A Q03164 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
SMN1; SMN2 Q16637 6/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
MAPT P10636 4/20 0.61
GAA P10253 2/20 0.61
TP53 P04637 2/20 0.61
GLA P06280 1/20 0.61
RCE1 Q9Y256 1/20 0.58
PIM1 P11309 1/20 0.57
PIM3 Q86V86 1/20 0.57

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
SCHEMBL9209215 0.82 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10561406 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL15078645 0.80 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL21431433 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL13105216 0.78 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL174140 0.78 RAB9A (0.65) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL23163298 0.77 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL175042 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL212851 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL15077183 0.76 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103188936-B Insecticidal composition DOW AGROSCIENCES LLC (US) 2016-04-20 CN disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-8604211-B2 Pesticidal compositions Dow AroSciecnes, LLC. (US) 2013-12-10 US disclosed
EP-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
CN-103188936-A Insecticidal composition DOW AGROSCIENCES LLC 2013-07-03 CN disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 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 (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-20120053146-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 2988/4885ALDH1A1 1882/4885HPGD 1548/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 2511/4885ALDH1A1 1438/4885HPGD 2430/4885

“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.