SCHEMBL17008992

SCHEMBL17008992

Cc1nc(C(F)(F)F)cc(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
CDK8 P49336 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.38
HSD17B10 Q99714 2/20 0.37
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
PRMT6 Q96LA8 1/20 0.35
PTGS2 P35354 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
CYP2C19 P33261 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
SCHEMBL30303130 1.00 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL21603492 0.83 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL21865977 0.83 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL30054247 0.80 HSP90AA1 (0.48) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL19711936 0.80 HSP90AA1 (0.48) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL18299983 0.80 HSP90AA1 (0.48) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL18299583 0.80 HSP90AA1 (0.48) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL3062694 0.75 HSP90AA1 (0.43) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL16543893 0.74 CDK8 (0.46) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL29626748 0.72 HSP90AA1 (0.44) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107912-B1 DERIVATIVES OF 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2024-07-10 EP disclosed
EP-3864015-B1 PROCESS FOR THE PREPARATION OF IMIDAZOLE DERIVATEIVES BAYER AG (DE) 2023-05-10 EP disclosed
CN-112867713-B Process for preparing imidazole derivatives 拜耳公司 2023-05-05 CN disclosed
US-20230087882-A1 2-(Het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AG (DE) 2023-03-23 US disclosed
CN-110312718-B Heterocyclene derivatives as pest control agents 拜耳公司 2023-02-28 CN disclosed
CN-110062756-B 2- (hetero) aryl-substituted fused bicyclic heterocyclic derivatives as pest control agents 拜耳作物科学股份公司 2022-09-02 CN disclosed
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-05-24 US disclosed
CN-110382485-B Heterocyclene derivatives as pest control agents 拜耳公司 2022-05-10 CN disclosed
US-11274097-B2 2-(het)aryl-substituted condensed bicyclic heterocycle derivatives as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-03-15 US disclosed
US-20220009930-A1 PROCESS FOR PREPARING IMIDAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-01-13 US disclosed
CN-107207506-A Condensed heterocyclic compouds and noxious organism control agent 日产化学工业株式会社 2017-09-26 CN disclosed
WO-2017121674-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-20 WO disclosed
WO-2017072039-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 WO disclosed
US-20170073342-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 US disclosed
EP-3107912-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2016-12-28 EP disclosed
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION AG (CH) 2016-10-27 WO disclosed
WO-2016162318-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS AND INTERMEDIATE PRODUCT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 WO disclosed
WO-2016124557-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-11 WO disclosed
WO-2016124563-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHSAFT (DE) 2016-08-11 WO disclosed
WO-2015121136-A1 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-08-20 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 (5 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-11274097-B2 2-(het)aryl-substituted condensed bicyclic heterocycle derivatives as pest control agents CYP8B1, CYP4B1, CYP1B1 HSP90AA1 563/4885HSP90AB1 751/4885CDK8 2246/4885
US-20230087882-A1 2-(Het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides CYP1B1, CYP4B1, CYP8B1 HSP90AA1 1594/4885HSP90AB1 1640/4885CDK8 3845/4885
US-20170073342-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES CYP1B1, CYP4B1, CYP8B1 HSP90AA1 1475/4885HSP90AB1 1560/4885CDK8 3788/4885
US-11339155-B2 2-(het)aryl-substituted fused bicyclic heterocycle derivatives as pesticides EPHX2, CYP8B1, CYP1B1 HSP90AA1 2670/4885HSP90AB1 3227/4885CDK8 3251/4885
US-20220009930-A1 PROCESS FOR PREPARING IMIDAZOLE DERIVATIVES UQCRB, CYP3A4, H1-4 HSP90AA1 3978/4885HSP90AB1 3755/4885CDK8 525/4885

“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.