SCHEMBL15415550

SCHEMBL15415550

[c]1nccc(N2CCCCCC2)c1N1CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.38
KEAP1 Q14145 1/20 0.37
MAPK1 P28482 2/20 0.36
PKM P14618 2/20 0.36
ALOX15 P16050 2/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ROCK2 O75116 6/20 0.35
ROCK1 Q13464 6/20 0.35
CDC42BPB Q9Y5S2 6/20 0.35
CDC42BPA Q5VT25 4/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
S100B P04271 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4235717 1.00 CHKA (0.38) CHKAKEAP1MAPK1PKMALOX15
SCHEMBL17493416 0.90 PDE10A (0.40) CHKAMAPK1HSD17B10ROCK2ROCK1
SCHEMBL3516829 0.77 CHKA (0.36) CHKAMAPK1CASP1HSD17B10HPGD
SCHEMBL14941441 0.77 CHKA (0.36) CHKAMAPK1CASP1HSD17B10HPGD
SCHEMBL14941440 0.77 GAA (0.38) CHKAKEAP1MAPK1PKMALOX15
SCHEMBL21326594 0.77 ALDH1A1 (0.40) CHKAKEAP1MAPK1PKMALOX15
SCHEMBL15415529 0.74 SMN1; SMN2 (0.43) MAPK1PKMALDH1A1GAAMEN1
SCHEMBL3544336 0.74 IP6K1 (0.40) HSD17B10HPGDALDH1A1GAAMEN1
SCHEMBL3760229 0.74 KDM4E (0.43) KEAP1MAPK1ALOX15HSD17B10HPGD
SCHEMBL14938658 0.73 CHKA (0.32) CHKAALDH1A1GAAMEN1MAPT

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436458-B1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2021-06-02 EP disclosed
US-10793578-B2 Fused pentacyclic imidazole derivatives as modulators of TNF activity UCB Biopharma SRL (BE) 2020-10-06 US disclosed
EP-3080127-B1 IMIDAZOPYRIMIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-3080128-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-3080123-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-17 EP disclosed
EP-3080112-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-03 EP disclosed
EP-3080130-B1 TRIAZOLOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-03 EP disclosed
EP-3080129-B1 IMIDAZOTRIAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-03 EP disclosed
EP-3080111-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-05-27 EP disclosed
EP-3303337-B1 FUSED TRICYCLIC IMIDAZO PYRAZINES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-05-27 EP disclosed
WO-2015086508-A1 BENZOTRIAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086498-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086513-A1 TETRAHYDROBENZIMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
EP-2872511-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2014009296-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA CHKA 199/4885KEAP1 3333/4885MAPK1 1185/4885
US-10793578-B2 Fused pentacyclic imidazole derivatives as modulators of TNF activity TNF, TNFRSF1A, NFKBIA CHKA 765/4885KEAP1 1880/4885MAPK1 394/4885

“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.