SCHEMBL19005099

SCHEMBL19005099

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccnc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.53
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
GPR119 Q8TDV5 12/20 0.44
ACHE P22303 1/20 0.39

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
SCHEMBL19005101 1.00 TBK1 (0.53) TBK1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL18985504 0.85 GABRP (0.45) TBK1
SCHEMBL24492752 0.85 GPR119 (0.53) TBK1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL19005022 0.84 TBK1 (0.53) TBK1GPR119
SCHEMBL18291487 0.84 GPR119 (0.48) TBK1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL18291466 0.84 GPR119 (0.48) TBK1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL30777918 0.82 TBK1 (0.62) TBK1
SCHEMBL20684921 0.82 ALDH1A1 (0.47) TBK1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL18985904 0.82 TBK1 (0.62) TBK1
SCHEMBL18083774 0.82 ALDH1A1 (0.47) TBK1SMARCA2SMARCA4PBRM1GPR119

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 1468/4885SMARCA2 239/4885SMARCA4 164/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 TBK1 1468/4885SMARCA2 239/4885SMARCA4 164/4885

“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.