Bay-440

Bay-440

SCHEMBL20720802

CN(C)c1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)CC(F)(F)F)CC5)ccn4)[nH]c3c2)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 1.00
FLT3 P36888 4/20 1.00
IKBKE Q14164 4/20 1.00
RPS6KA6 Q9UK32 4/20 1.00
TMEM97 Q5BJF2 1/20 1.00
CCNT1 O60563 3/20 0.75
CDK9 P50750 3/20 0.75
STK17A Q9UEE5 1/20 0.75

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
SCHEMBL19005517 0.93 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6TMEM97
SCHEMBL19005494 0.93 TBK1 (0.87) TBK1FLT3IKBKERPS6KA6TMEM97
SCHEMBL19005495 0.91 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6TMEM97
SCHEMBL19005481 0.90 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6TMEM97
SCHEMBL18985691 0.88 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6TMEM97
SCHEMBL18985470 0.88 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6TMEM97
SCHEMBL18985309 0.88 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6TMEM97
SCHEMBL18985422 0.88 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6TMEM97
SCHEMBL19005445 0.86 TBK1 (0.85) TBK1FLT3IKBKERPS6KA6TMEM97
SCHEMBL19005357 0.86 TBK1 (1.00) TBK1FLT3IKBKERPS6KA6TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US claimed
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
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
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 1468/4885FLT3 438/4885IKBKE 87/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 TBK1 1468/4885FLT3 438/4885IKBKE 87/4885

“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.