SCHEMBL21295147

SCHEMBL21295147

O=C(O)c1cc2n(n1)CCC(C(F)(F)F)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.34
ESR1 P03372 1/20 0.34
SPR P35270 4/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33
HCAR2 Q8TDS4 2/20 0.33
PTGER1 P34995 1/20 0.32
RIPK1 Q13546 3/20 0.32

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
SCHEMBL6383954 0.78 USP2 (0.43) ALDH1A1POLBESR1KDM4EHSD17B10
SCHEMBL18365961 0.70 RIPK1 (0.47) SPRRIPK1
SCHEMBL23535256 0.68 CYP4F2 (0.35) POLBESR1KDM4E
SCHEMBL21295175 0.68 RIPK1 (0.33) RIPK1
SCHEMBL1423651 0.67 HTR2A (0.44)
SCHEMBL26526759 0.67 MPO (0.34)
SCHEMBL3310783 0.65 HDAC6 (0.41) ALDH1A1POLBRIPK1
SCHEMBL25412001 0.65 GRM5 (0.46)
SCHEMBL12282789 0.65 PDCD1 (0.43) POLBTSHRHCAR2
SCHEMBL1815818 0.65 KMO (0.42) ALDH1A1POLBRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3755700-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2021-11-24 EP disclosed
US-11019821-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-06-01 US disclosed
US-11019821-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-06-01 US disclosed
EP-3755700-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2020-12-30 EP disclosed
US-20200383334-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-12-10 US disclosed
US-20200383334-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-12-10 US disclosed
CN-111741958-A Fused bicyclic heterocyclic derivatives as pest control agents 拜耳公司 2020-10-02 CN disclosed
WO-2019162174-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-08-29 WO disclosed
WO-2019162174-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-08-29 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-11019821-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE ALDH1A1 299/4885POLB 3922/4885ESR1 3436/4885
US-20200383334-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE ALDH1A1 299/4885POLB 3922/4885ESR1 3436/4885

“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.