SCHEMBL19005187

SCHEMBL19005187

Cc1c(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)ncnc1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.77
IKBKE Q14164 4/20 0.64
FLT3 P36888 2/20 0.56
RPS6KA6 Q9UK32 2/20 0.56
CCNT1 O60563 1/20 0.56
CDK9 P50750 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56

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 SCHEMBL20721074 0.99 TBK1 (0.76) TBK1IKBKEFLT3RPS6KA6CCNT1
SCHEMBL19005024 0.90 TBK1 (0.78) TBK1IKBKE
Hydrochloric Acid SCHEMBL18985700 0.90 TBK1 (0.77) TBK1IKBKE
SCHEMBL19005357 0.87 TBK1 (1.00) TBK1IKBKEFLT3RPS6KA6CCNT1
SCHEMBL18985928 0.86 TBK1 (1.00) TBK1
SCHEMBL18985371 0.86 TBK1 (1.00) TBK1
SCHEMBL19005185 0.84 TBK1 (0.75) TBK1IKBKE
SCHEMBL19004904 0.83 TBK1 (0.66) TBK1IKBKE
Hydrochloric Acid SCHEMBL20720918 0.83 TBK1 (0.74) TBK1IKBKE
Hydrochloric Acid SCHEMBL18985823 0.83 TBK1 (0.65) TBK1IKBKE

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.