SCHEMBL17279271

SCHEMBL17279271

CCn1c(NCCCNC(=O)OC(C)(C)C)nc2c(I)c(Br)c(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
BRD4 O60885 15/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL17279267 0.85 KCNH2 (0.65) KCNH2STK17BSTK17ABRD4
SCHEMBL17279268 0.83 BRD4 (0.46) STK17BSTK17ABRD4
SCHEMBL18905091 0.80 KCNH2 (0.67) KCNH2BRD4
SCHEMBL15822306 0.71 KCNH2 (0.75) KCNH2
SCHEMBL30897110 0.68 STK17B (0.53) STK17BSTK17ABRD4
SCHEMBL7972272 0.67 BRD4 (0.43) STK17BSTK17ABRD4ADORA2AADORA1
SCHEMBL17154889 0.66 STK17B (0.56) STK17BSTK17ABRD4ADORA2AADORA1
SCHEMBL31436060 0.65 STK17B (0.58) STK17BSTK17ABRD4ADORA2AADORA1
SCHEMBL7967420 0.64 BRD4 (0.46) STK17BSTK17ABRD4ADORA3ADORA2A
SCHEMBL16024081 0.64 CA1 (0.49) STK17BSTK17ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174013-B2 Benzimidazole derivatives as kinase inhibitors SELVITA S.A. (PL) 2019-01-08 US disclosed
US-10174013-B2 Benzimidazole derivatives as kinase inhibitors SELVITA S.A. (PL) 2019-01-08 US disclosed
US-20170152249-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS KINASE INHIBITORS Ryvu Therapeutics S.A. (PL) 2017-06-01 US disclosed
US-20170152249-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS KINASE INHIBITORS Ryvu Therapeutics S.A. (PL) 2017-06-01 US disclosed
US-20170152249-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS KINASE INHIBITORS Ryvu Therapeutics S.A. (PL) 2017-06-01 US disclosed
US-9388192-B2 Benzimidazole derivatives as Kinase Inhibitors SELVITA S.A. (PL) 2016-07-12 US disclosed
US-9388192-B2 Benzimidazole derivatives as Kinase Inhibitors SELVITA S.A. (PL) 2016-07-12 US disclosed
US-20150336967-A1 Novel Benzimidazole Derivatives as Kinase Inhibitors Ryvu Therapeutics S.A. (PL) 2015-11-26 US disclosed
US-20150336967-A1 Novel Benzimidazole Derivatives as Kinase Inhibitors Ryvu Therapeutics S.A. (PL) 2015-11-26 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 (3 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-10174013-B2 Benzimidazole derivatives as kinase inhibitors PIM1, PIM3, PIM2 KCNH2 2265/4885STK17B 140/4885STK17A 135/4885
US-20170152249-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS KINASE INHIBITORS PIM1, PIM3, PIM2 KCNH2 2240/4885STK17B 121/4885STK17A 116/4885
US-20150336967-A1 Novel Benzimidazole Derivatives as Kinase Inhibitors PIM1, PIM3, PIM2 KCNH2 2240/4885STK17B 121/4885STK17A 116/4885

“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.