SCHEMBL20042498

SCHEMBL20042498

CCS(=O)(=O)c1ccc(NC(=O)N2CCCC2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ GLA P06280 2/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ CNR2 P34972 3/20 0.34
▸ TP53 P04637 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ QRFPR Q96P65 1/20 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
SCHEMBL31534713 0.88 JAK1 (0.38) PIK3C3RORCPIK3CADDR1
SCHEMBL17967731 0.88 JAK1 (0.38) PIK3C3RORCPIK3CADDR1
SCHEMBL21715831 0.87 DDR1 (0.35) RORCPIK3CDDDR1
SCHEMBL20042459 0.87 SMN1; SMN2 (0.36) SMN1; SMN2GLACNR2TP53RORC
SCHEMBL20042377 0.86 RORC (0.34) RORCPIK3CADDR1
SCHEMBL30051769 0.86 RORC (0.34) RORCPIK3CADDR1
SCHEMBL20042457 0.86 MAPK1 (0.35) RORCDDR1
SCHEMBL18013263 0.86 DDR1 (0.35) RORCDDR1
SCHEMBL20042497 0.86 DDR1 (0.34) CNR2TP53RORCPIK3CGDDR1
SCHEMBL31534701 0.86 DDR1 (0.35) RORCDDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-05-24 — — US disclosed
EP-3523299-B1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2021-04-14 — — EP disclosed
US-20200048246-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — US disclosed
WO-2018065292-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-12 — — 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-20200048246-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES EPHX2, CYP8B1, CYP1B1 SMN1; SMN2 2890/4885GLA 3696/4885PIK3C3 2223/4885
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides EPHX2, CYP8B1, CYP1B1 SMN1; SMN2 2890/4885GLA 3696/4885PIK3C3 2223/4885

“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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