SCHEMBL18073398

SCHEMBL18073398

CCSc1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)n(CC)c(=O)c2n1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 2/20 0.33
▸ DDR1 Q08345 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ PKM P14618 1/20 0.32
▸ TOP2A P11388 4/20 0.32
▸ TOP2B Q02880 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL18073404 0.87 KDR (0.34) DDR1ADORA2APKMALDH1A1KDM4E
SCHEMBL22291718 0.84 DDR1 (0.34) DDR1ADORA2AMEN1KMT2A
SCHEMBL18073401 0.83 DDR1 (0.35) GSRDDR1ADORA2ATOP2ATOP2B
SCHEMBL30177574 0.81 ALDH1A1 (0.30) DDR1ALDH1A1SMN1; SMN2
SCHEMBL20505439 0.81 ALDH1A1 (0.30) DDR1ALDH1A1SMN1; SMN2
SCHEMBL23971752 0.81 DDR1 (0.30) DDR1
SCHEMBL20581691 0.81 BRD4 (0.31) DDR1ADORA2B
SCHEMBL20545450 0.81 KDM4E (0.36) DDR1ADORA2AALDH1A1KDM4E
SCHEMBL20090883 0.79 ADORA2A (0.31) DDR1ADORA2AALDH1A1SMN1; SMN2
SCHEMBL22779591 0.78 PDE10A (0.32) DDR1

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-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 — — US disclosed
US-10323031-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-18 — — US disclosed
EP-3268365-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-02-06 — — EP disclosed
US-20180134697-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-17 — — US disclosed
US-20180134697-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-17 — — US disclosed
WO-2016142326-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 — — 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 (3 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-20180134697-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, GSTM1 GSR 80/4885DDR1 4469/4885ADORA2A 4304/4885
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE GSR 110/4885DDR1 4119/4885ADORA2A 358/4885
US-10323031-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, GSTM1 GSR 80/4885DDR1 4469/4885ADORA2A 4304/4885

“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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