SCHEMBL18136198

SCHEMBL18136198

CCS(=O)(=O)c1c(-c2nc3cc4c(cc3n2C)OC(F)(F)O4)nc2ccccn12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLR1A O95602 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
RORC P51449 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21698367 0.82 PDE10A (0.32) CYP1A2CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL20100093 0.79 KDM4E (0.36) HTR6CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL18131811 0.79 CSNK1E (0.37) CYP1A2CYP2C9CYP2C19
SCHEMBL24175247 0.78 HDAC1 (0.36) SMN1; SMN2KDM4EHSD17B10ALDH1A1GAA
SCHEMBL18819792 0.78 KDM4E (0.34) SMN1; SMN2KDM4ENPSR1HSD17B10ALDH1A1
SCHEMBL18136196 0.77 HSD17B10 (0.34) HTR6CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL24174579 0.75
SCHEMBL18498696 0.75 RORC (0.32) RORC
SCHEMBL31141495 0.75 RORC (0.32) RORC
SCHEMBL18498889 0.75 RORC (0.32) RORC

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
EP-3280716-B1 IMIDAZO[1,2-A]PYRIDIN-2-YL DERIVATIVES AS PESTICIDES AND INTERMEDIATES THEREOF BAYER CROPSCIENCE AG (DE) 2020-02-12 EP disclosed
EP-3280716-B1 IMIDAZO[1,2-A]PYRIDIN-2-YL DERIVATIVES AS PESTICIDES AND INTERMEDIATES THEREOF BAYER CROPSCIENCE AG (DE) 2020-02-12 EP disclosed
US-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-29 US disclosed
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 US disclosed
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 US disclosed
WO-2016162318-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS AND INTERMEDIATE PRODUCT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 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-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, CBR3, CYCS HTR6 4840/4885CYP1A2 44/4885CYP2C9 82/4885
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS HTR6 4840/4885CYP1A2 44/4885CYP2C9 82/4885

“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.