SCHEMBL18985877

SCHEMBL18985877

Nc1ccc(-c2ccnn2C2CCCCO2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.50
CYP4A11 Q02928 5/20 0.50
ATR Q13535 13/20 0.43
IDH1 O75874 1/20 0.41
NR3C2 P08235 1/20 0.40

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
SCHEMBL21729100 0.89 CYP4F2 (0.47) CYP4F2CYP4A11ATRIDH1
SCHEMBL20641888 0.87 CYP4F2 (0.46) CYP4F2CYP4A11ATRIDH1
SCHEMBL21724972 0.86 CYP4F2 (0.50) CYP4F2CYP4A11ATRIDH1NR3C2
SCHEMBL23154226 0.85 ATR (0.49) CYP4F2CYP4A11ATRIDH1
SCHEMBL12079810 0.82 CYP4F2 (0.50) CYP4F2CYP4A11ATRIDH1
SCHEMBL1817328 0.80 ATR (0.50) CYP4F2CYP4A11ATRIDH1
SCHEMBL12092426 0.79 CYP4F2 (0.52) CYP4F2CYP4A11ATR
SCHEMBL29653668 0.79 CYP4F2 (0.43) CYP4F2CYP4A11ATR
SCHEMBL23500594 0.79 CYP4F2 (0.43) CYP4F2CYP4A11ATR
SCHEMBL2685154 0.79 CYP4F2 (0.51) CYP4F2CYP4A11ATR

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
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-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
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 CYP4F2 271/4885CYP4A11 273/4885ATR 725/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 CYP4F2 271/4885CYP4A11 273/4885ATR 725/4885

“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.