SCHEMBL20720872

SCHEMBL20720872

Cn1cc(-c2ccc3nc(Nc4cc(CN5CCN(C=O)CC5)ccn4)[nH]c3c2)cn1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.75
CCNT1 O60563 2/20 0.72
FLT3 P36888 2/20 0.72
CDK9 P50750 2/20 0.72
IKBKE Q14164 2/20 0.72
RPS6KA6 Q9UK32 2/20 0.72

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
SCHEMBL20720812 0.91 TBK1 (0.76) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL19004894 0.88 TBK1 (0.74) TBK1CCNT1FLT3CDK9IKBKE
Hydrochloric Acid SCHEMBL18985506 0.87 TBK1 (0.73) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL20720795 0.87 TBK1 (0.74) TBK1
SCHEMBL20720850 0.87 TBK1 (0.74) TBK1
SCHEMBL18985478 0.86 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL20720818 0.86 TBK1 (0.73) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL20720830 0.85 TBK1 (0.73) TBK1IKBKE
SCHEMBL18985987 0.85 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE
SCHEMBL18985858 0.84 TBK1 (1.00) TBK1CCNT1FLT3CDK9IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1468/4885CCNT1 5/4885FLT3 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.