SCHEMBL17949562

SCHEMBL17949562

CCS(=O)(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ALOX5AP P20292 6/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ DDR1 Q08345 4/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL18015922 0.87 PDE10A (0.35) CNR2DDR1KCNH2
SCHEMBL21020024 0.87 DDR1 (0.33) CNR2NPC1RAB9ADDR1KCNH2
SCHEMBL20610247 0.86 ALOX5AP (0.31) ALOX5APNPC1RAB9A
SCHEMBL20610205 0.86 ALOX5AP (0.34) ALOX5APNPC1RAB9A
SCHEMBL17383123 0.86 DDR1 (0.36) SMN1; SMN2ALDH1A1KDM4ECNR2DDR1
SCHEMBL17949386 0.86 PDE10A (0.35) CNR2DDR1KCNH2
SCHEMBL21020026 0.85 KCNH2 (0.33) CNR2NPC1RAB9ADDR1KCNH2
SCHEMBL17949520 0.85 DDR1 (0.35) DDR1
SCHEMBL21805954 0.85 HSD17B10 (0.34) SMN1; SMN2ALDH1A1HPGDGLAHSD17B10
SCHEMBL20610221 0.84 CYP1A2 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020058010-A1 PESTICIDAL MIXTURES COMPRISING A MESOIONIC COMPOUND BASF SE (DE) 2020-03-26 — — WO claimed
US-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-28 — — US disclosed
US-10981907-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-04-20 — — US disclosed
US-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2020-09-15 — — US disclosed
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-30 — — US disclosed
WO-2020058010-A1 PESTICIDAL MIXTURES COMPRISING A MESOIONIC COMPOUND BASF SE (DE) 2020-03-26 — — WO disclosed
US-20190150447-A1 CONDENSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-05-23 — — US disclosed
US-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-05-16 — — US disclosed
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-21 — — US disclosed
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-21 — — US disclosed
WO-2016116338-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-28 — — 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 (7 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-20190150447-A1 CONDENSED HETEROCYCLIC COMPOUND CBR3, CBR1, RCOR3 SMN1; SMN2 671/4885ALDH1A1 3166/4885HPGD 719/4885
US-10981907-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, ACHE, GSTM1 SMN1; SMN2 400/4885ALDH1A1 1216/4885HPGD 2516/4885
US-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR SMN1; SMN2 514/4885ALDH1A1 1105/4885HPGD 2393/4885
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, SQOR, PTMS SMN1; SMN2 538/4885ALDH1A1 1331/4885HPGD 2311/4885
US-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP4X1, CYP1A1, CYP1A2 SMN1; SMN2 2172/4885ALDH1A1 591/4885HPGD 508/4885
US-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR SMN1; SMN2 514/4885ALDH1A1 1105/4885HPGD 2393/4885
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4X1, CYP1A1, CYP1A2 SMN1; SMN2 2172/4885ALDH1A1 591/4885HPGD 508/4885

“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.

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