SCHEMBL20042473

SCHEMBL20042473

CCNC(=O)Nc1ccc(S(=O)(=O)CC)c(-c2nc3cc(C(F)(F)F)ncc3n2C)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.40
▸ MAPK1 P28482 11/20 0.40
▸ MAPK8 P45983 10/20 0.40
▸ MAPK9 P45984 10/20 0.40
▸ MAPK10 P53779 10/20 0.40
▸ MAPK14 Q16539 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ DDR1 Q08345 1/20 0.35

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
SCHEMBL20042377 0.92 RORC (0.34) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL30051769 0.92 RORC (0.34) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL17967731 0.92 JAK1 (0.38) PIK3CADDR1
SCHEMBL31534713 0.92 JAK1 (0.38) PIK3CADDR1
SCHEMBL20042460 0.91 CYP1A2 (0.34) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL20042476 0.90 MAPK1 (0.40) PIK3CAMAPK1ABL1DDR1
SCHEMBL20042456 0.90 CYP1A2 (0.33) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL20042457 0.90 MAPK1 (0.35) MAPK1ABL1DDR1
SCHEMBL20042474 0.90 CYP1A2 (0.33) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL20042475 0.90 RORC (0.34) PIK3CAMAPK1MAPK8MAPK9MAPK10

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 PIK3CA 1365/4885MAPK1 2882/4885MAPK8 4223/4885
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides EPHX2, CYP8B1, CYP1B1 PIK3CA 1365/4885MAPK1 2882/4885MAPK8 4223/4885

“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.

Send feedback