SCHEMBL18985740

SCHEMBL18985740

CC(C)(C)OC(=O)N1CCN(Cc2ccnc(N)c2)C(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 13/20 0.47
GPR119 Q8TDV5 2/20 0.43
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ACHE P22303 1/20 0.39
POLB P06746 1/20 0.38
F2RL1 P55085 1/20 0.38

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
SCHEMBL18985904 0.82 TBK1 (0.62) TBK1
SCHEMBL30777918 0.82 TBK1 (0.62) TBK1
SCHEMBL23089719 0.78 KMT2A (0.49) GPR119OPRD1OPRK1POLB
SCHEMBL29736556 0.78 KMT2A (0.49) GPR119OPRD1OPRK1POLB
SCHEMBL1469911 0.78 TBK1 (0.40) TBK1GPR119OPRD1OPRK1ACHE
SCHEMBL19005099 0.77 TBK1 (0.53) TBK1GPR119ACHE
SCHEMBL19005101 0.77 TBK1 (0.53) TBK1GPR119ACHE
SCHEMBL20304837 0.75 HDAC1 (0.53) GPR119JAK2JAK1
SCHEMBL6178837 0.73 MEN1 (0.54) TBK1GPR119POLB
SCHEMBL20507562 0.72 MAPT (0.52) GPR119ACHEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3390387-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 EP 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 1468/4885GPR119 1320/4885JAK2 64/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 TBK1 1468/4885GPR119 1320/4885JAK2 64/4885

“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.