SCHEMBL17079133

SCHEMBL17079133

Nc1cc(CO)cc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CA2 P00918 1/20 0.39
CHKA P35790 1/20 0.39
LOXL2 Q9Y4K0 5/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 1/20 0.39
LOX P28300 2/20 0.38
TLR8 Q9NR97 1/20 0.36
HSD17B10 Q99714 2/20 0.36
BACE1 P56817 1/20 0.33
ACHE P22303 1/20 0.33
PTGS2 P35354 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL17085390 0.86 HSP90AA1 (0.40) HSP90AA1HSP90AB1CA2CHKALOXL2
Hydrochloric Acid SCHEMBL17079135 0.85 LOXL2 (0.40) HSP90AA1HSP90AB1CA2CHKALOXL2
SCHEMBL19004924 0.82 HSP90AA1 (0.40) HSP90AA1HSP90AB1CA2CHKALOXL2
Bromide SCHEMBL18985550 0.81 HSP90AA1 (0.39) HSP90AA1HSP90AB1CA2CHKALOXL2
SCHEMBL6120892 0.78 RECQL (0.41) HSP90AA1HSP90AB1LOXL2KDM4EALDH1A1
SCHEMBL21597028 0.78 HSP90AA1 (0.48) HSP90AA1HSP90AB1LOXL2KDM4EALDH1A1
SCHEMBL31039227 0.78 RECQL (0.41) HSP90AA1HSP90AB1LOXL2KDM4EALDH1A1
SCHEMBL17079130 0.77 PTGS2 (0.42) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL28573934 0.77 LOXL2 (0.36) HSP90AA1HSP90AB1CA2CHKALOXL2
SCHEMBL18050066 0.77 TSHR (0.40) HSP90AA1HSP90AB1LOXL2KDM4EPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
EP-3390387-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 EP disclosed
US-9856242-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCAFT (DE) 2018-01-02 US disclosed
US-9856242-B2 5-fluoro-N-(pyridin-2-yl)pyridin-2-amine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCAFT (DE) 2018-01-02 US disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed
EP-3116869-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFONE GROUP Bayer Pharma Aktiengesellschaft (DE) 2017-01-18 EP disclosed
US-20170001989-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-05 US disclosed
US-20170001989-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-05 US disclosed
US-20170001989-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-05 US disclosed
CN-106232596-A 5 fluorine N (pyridine 2 base) pyridine 2 amine derivative containing sulfone group 拜耳医药股份有限公司 2016-12-14 CN disclosed
WO-2015136028-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-17 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-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 HSP90AA1 2647/4885HSP90AB1 1602/4885CA2 4378/4885
US-20170001989-A1 5-FLUORO-N-(PYRIDIN-2-YL)PYRIDIN-2-AMINE DERIVATIVES CONTAINING A SULFONE GROUP PNPO, PAH, TPMT HSP90AA1 3364/4885HSP90AB1 2566/4885CA2 4503/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 HSP90AA1 2647/4885HSP90AB1 1602/4885CA2 4378/4885

“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.