SCHEMBL17891983

SCHEMBL17891983

Nc1cc(C2CCC2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
ADORA2A P29274 4/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
ASIC3 Q9UHC3 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
PI4KA P42356 3/20 0.35
PI4K2B Q8TCG2 3/20 0.35
PI4K2A Q9BTU6 3/20 0.35
PI4KB Q9UBF8 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL30566910 0.96 KMO (0.51) KMOALOX5APFEN1ADORA2AADORA3
SCHEMBL25369779 0.96 KMO (0.51) KMOALOX5APFEN1ADORA2AADORA3
SCHEMBL2076056 0.94 KMO (0.54) KMOALOX5APFEN1ADORA2AADORA3
SCHEMBL24692153 0.94 KMO (0.54) KMOALOX5APFEN1ADORA2AADORA3
SCHEMBL6119719 0.91 KMO (0.42) KMOALOX5APFEN1ADORA2AADORA3
Formic Acid SCHEMBL28591621 0.89 KMO (0.47) KMOALOX5APFEN1ADORA2AADORA3
SCHEMBL23025135 0.82 RET (0.38) KMOASIC3CA2CHKARET
Formic Acid SCHEMBL27917749 0.81 KMO (0.42) KMOALOX5APFEN1ADORA2AASIC3
SCHEMBL31000813 0.78 KMO (0.63) KMOADORA2AHRH4PI4KAPI4K2B
SCHEMBL25178766 0.76 RET (0.34) KMOASIC3CA2CHKARAB9A

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
CN-107108612-B Pesticidally active tetracyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-05-15 CN disclosed
US-10196398-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-02-05 US disclosed
US-20180009813-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-01-11 US disclosed
EP-3240788-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-11-08 EP disclosed
CN-107108612-A The active tetracyclic of harmful organism is killed with sulfur-bearing substituent 先正达参股股份有限公司 2017-08-29 CN disclosed
WO-2016107742-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-07 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 (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-20180009813-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, GSTO1 KMO 544/4885ALOX5AP 1893/4885FEN1 1880/4885
US-10196398-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, GSTO1 KMO 544/4885ALOX5AP 1893/4885FEN1 1880/4885

“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.