SCHEMBL18985778

SCHEMBL18985778

Nc1ccc(-c2cnn(CC3CC3(F)F)c2)c(F)c1N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.38
FEN1 P39748 6/20 0.33
PIK3CA P42336 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
SCN9A Q15858 1/20 0.32
CREBBP Q92793 1/20 0.31
ALOX5AP P20292 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL18985433 0.86 TBK1 (0.39) TBK1FEN1PIK3CAPIK3CDPIK3CB
SCHEMBL18985660 0.85 PIK3CD (0.46) TBK1FEN1PIK3CAPIK3CDPIK3CB
SCHEMBL19005012 0.82 PIK3CD (0.41) TBK1FEN1PIK3CAPIK3CDPIK3CB
SCHEMBL19668078 0.81 FFAR1 (0.38) TBK1FEN1PIK3CAPIK3CDPIK3CB
SCHEMBL18985752 0.80 PIK3CD (0.43) TBK1PIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL19004902 0.78 PIK3CD (0.40) TBK1FEN1PIK3CAPIK3CDPIK3CB
SCHEMBL19668107 0.78 LRRK2 (0.34) TBK1PIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL19005256 0.74 PIK3CD (0.39) TBK1PIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL20732754 0.74 ALOX5AP (0.45) FEN1PIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL18985609 0.72 MAPT (0.48) TBK1PIK3CAPIK3CDPIK3CBPI4KA

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 7 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
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
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 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-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 TBK1 1468/4885FEN1 1072/4885PIK3CA 241/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 TBK1 1468/4885FEN1 1072/4885PIK3CA 241/4885

“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.