SCHEMBL19005037

SCHEMBL19005037

c1cc(CN2CCNCC2)cc(Nc2nc3ccc(-c4nc(C5CC5)no4)cc3[nH]2)n1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.78
IKBKE Q14164 5/20 0.78
FLT3 P36888 1/20 0.73

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
Hydrochloric Acid SCHEMBL18986048 0.99 TBK1 (0.77) TBK1IKBKEFLT3
SCHEMBL19004874 0.88 TBK1 (1.00) TBK1IKBKE
SCHEMBL18985503 0.87 TBK1 (1.00) TBK1IKBKEFLT3
Hydrochloric Acid SCHEMBL18985513 0.87 TBK1 (0.98) TBK1IKBKE
SCHEMBL19005084 0.87 TBK1 (0.77) TBK1IKBKE
SCHEMBL18985338 0.86 TBK1 (1.00) TBK1IKBKEFLT3
Hydrochloric Acid SCHEMBL20720894 0.86 TBK1 (0.76) TBK1IKBKE
SCHEMBL18985539 0.86 TBK1 (1.00) TBK1IKBKEFLT3
SCHEMBL18986025 0.86 TBK1 (1.00) TBK1IKBKEFLT3
SCHEMBL18985871 0.85 TBK1 (1.00) TBK1IKBKEFLT3

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 1468/4885IKBKE 87/4885FLT3 438/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 TBK1 1468/4885IKBKE 87/4885FLT3 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.