SCHEMBL20876124

SCHEMBL20876124

CCOC(=O)c1nc2cc(C3(C#N)CC3)ccn2c1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.45
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 6/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HCRTR1 O43613 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL20887345 0.89 AKT1 (0.40) PDE4AAKT1AKT2PTGS1PTGS2
SCHEMBL20876176 0.85 AKT1 (0.39) PDE4AAKT1AKT2PTGS1PTGS2
SCHEMBL20876145 0.85 AKT1 (0.37) PDE4AAKT1AKT2PTGS1PTGS2
SCHEMBL20887365 0.83 PTGS1 (0.37) PDE4AAKT1AKT2PTGS1PTGS2
SCHEMBL20876099 0.77 PDE4A (0.33) PDE4AAKT1AKT2PTGS1PTGS2
SCHEMBL20887346 0.77 KDM4E (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL15767331 0.76 PDE4A (0.53) PDE4APTGS1PTGS2RAB9ANPC1
SCHEMBL9966053 0.76 PDE4A (0.53) PDE4APTGS1PTGS2RAB9ANPC1
SCHEMBL25296836 0.74 CYP1A2 (0.39) PDE4AAKT1AKT2PTGS1PTGS2
SCHEMBL20876096 0.74 AKT1 (0.32) PDE4AAKT1AKT2PDE4BPDE4C

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50663-E1 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2025-11-18 US disclosed
CN-117430622-A Derivatives of heterocyclic compounds as pest control agents 拜耳公司 2024-01-23 CN disclosed
CN-111433215-B Derivatives of heterocyclic compounds as pest control agents 拜耳公司 2023-10-03 CN disclosed
CN-111989328-B Heterocyclic derivatives as pest control agents 拜耳公司 2023-04-18 CN disclosed
EP-3765466-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-05-25 EP disclosed
EP-3765466-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-05-25 EP disclosed
US-20210169080-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-10 US disclosed
US-20210169080-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-10 US disclosed
EP-3820868-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2021-05-19 EP disclosed
US-10981935-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200291043-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-09-17 US disclosed
US-20200291043-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-09-17 US disclosed
EP-3692045-A1 DERIVATIVES OF HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2020-08-12 EP disclosed
CN-111433215-A Derivatives of heterocyclic compounds as pest control agents 拜耳公司 2020-07-17 CN disclosed
WO-2019201921-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-10-24 WO disclosed
WO-2019201921-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-10-24 WO disclosed
WO-2019175046-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-19 WO disclosed
WO-2019175046-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-19 WO disclosed
WO-2019068572-A1 DERIVATIVES OF HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-04-11 WO disclosed
WO-2019068572-A1 DERIVATIVES OF HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-04-11 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-20200291043-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 PDE4A 845/4885AKT1 704/4885AKT2 1502/4885
US-20210169080-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, CBR3 PDE4A 735/4885AKT1 839/4885AKT2 1301/4885
US-10981935-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 PDE4A 845/4885AKT1 704/4885AKT2 1502/4885

“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.