SCHEMBL18247485

SCHEMBL18247485

COC(=O)c1ccc2c(c1)nc(-c1cc3ccccc3n1CC1CC1)n2C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 13/20 0.66
PTGER4 P35408 7/20 0.59
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54

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
SCHEMBL18247356 0.89 PADI4 (0.69) PADI4PTGER4PDE4APDE4BPDE4C
SCHEMBL16817908 0.87 PADI4 (0.62) PADI4PTGER4
SCHEMBL18247443 0.87 PADI4 (0.60) PADI4PTGER4
SCHEMBL19284326 0.86 PADI4 (0.64) PADI4PTGER4
SCHEMBL18247589 0.85 PADI4 (0.71) PADI4PDE4APDE4BPDE4CPDE4D
SCHEMBL18247431 0.84 EHMT2 (0.49) PADI4PTGER4
SCHEMBL23435381 0.84 PADI4 (0.81) PADI4PTGER4PDE4APDE4BPDE4C
SCHEMBL17431694 0.83 PTGER4 (0.50) PADI4PTGER4
SCHEMBL18940609 0.83 PADI4 (0.51) PADI4PTGER4
SCHEMBL18247636 0.80 PADI4 (0.59) PADI4PTGER4PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
CN-107849015-B Benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2021-03-19 CN disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-26 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
US-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-18 US disclosed
EP-3298003-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-03-28 EP disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 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 (4 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-20180297983-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 PADI4 1/4885PTGER4 231/4885PDE4A 29/4885
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 PADI4 1/4885PTGER4 231/4885PDE4A 29/4885
US-20200095227-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS PADI4, PADI1, PADI2 PADI4 1/4885PTGER4 231/4885PDE4A 29/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 PADI4 1/4885PTGER4 231/4885PDE4A 29/4885

“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.