SCHEMBL20720903

SCHEMBL20720903

CC(C)(C)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5cc(NC6CCC6)ncn5)cc4[nH]3)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.77
ULK1 O75385 1/20 0.62
FLT3 P36888 1/20 0.62
IKBKE Q14164 1/20 0.62
STK17A Q9UEE5 1/20 0.62
RPS6KA6 Q9UK32 1/20 0.62

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
SCHEMBL20720920 0.97 TBK1 (0.78) TBK1ULK1FLT3IKBKESTK17A
SCHEMBL19005279 0.89 TBK1 (0.79) TBK1IKBKE
SCHEMBL20720924 0.89 TBK1 (0.76) TBK1ULK1FLT3IKBKESTK17A
SCHEMBL20721039 0.89 TBK1 (0.78) TBK1ULK1FLT3IKBKESTK17A
Hydrochloric Acid SCHEMBL20720855 0.89 TBK1 (0.78) TBK1IKBKE
SCHEMBL20721076 0.89 TBK1 (0.77) TBK1ULK1FLT3IKBKESTK17A
SCHEMBL18985223 0.88 TBK1 (0.86) TBK1ULK1FLT3IKBKESTK17A
SCHEMBL19005665 0.88 TBK1 (0.95) TBK1
SCHEMBL18985592 0.87 TBK1 (1.00) TBK1
SCHEMBL20720933 0.87 TBK1 (0.78) TBK1FLT3IKBKESTK17ARPS6KA6

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 2 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

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 1468/4885ULK1 2026/4885FLT3 438/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 TBK1 1468/4885ULK1 2026/4885FLT3 438/4885

“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.