SCHEMBL19005022

SCHEMBL19005022

C[C@@H]1CN(Cc2ccnc(N)c2)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.53
GPR119 Q8TDV5 3/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MAP4K4 O95819 1/20 0.40
UCHL1 P09936 1/20 0.39
LTA4H P09960 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL18985971 0.84 GABRP (0.46) TBK1PDK1PDK2PDK3PDK4
SCHEMBL19005101 0.84 TBK1 (0.53) TBK1GPR119
SCHEMBL19005099 0.84 TBK1 (0.53) TBK1GPR119
SCHEMBL105646 0.79 PDK1 (0.65) TBK1GPR119PDK1PDK2PDK3
SCHEMBL13810588 0.79 PDK1 (0.65) TBK1GPR119PDK1PDK2PDK3
SCHEMBL105647 0.79 PDK1 (0.65) TBK1GPR119PDK1PDK2PDK3
SCHEMBL107382 0.79 PDK1 (0.65) TBK1GPR119PDK1PDK2PDK3
SCHEMBL15292045 0.78 PDK1 (0.51) TBK1GPR119PDK1PDK2PDK3
SCHEMBL4496835 0.78 PDK1 (0.52) TBK1PDK1PDK2PDK3PDK4
SCHEMBL4501274 0.78 PDK1 (0.53) TBK1GPR119PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1468/4885GPR119 1320/4885PDK1 298/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 TBK1 1468/4885GPR119 1320/4885PDK1 298/4885

“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.