SCHEMBL4630247

SCHEMBL4630247

COCCNc1[c]nccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LDHA P00338 1/20 0.39
CYP1A2 P05177 5/20 0.38
HSD17B10 Q99714 4/20 0.38
UTS2R Q9UKP6 2/20 0.38
ALOX15 P16050 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
NCF1 P14598 2/20 0.37
MALT1 Q9UDY8 1/20 0.36
CYP3A4 P08684 4/20 0.36
PKM P14618 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL2068624 0.80 KDM4E (0.38) ALDH1A1KDM4EHSD17B10UTS2RPKM
SCHEMBL933411 0.77 CYP2C19 (0.49) ALDH1A1KDM4ECYP2C19NCF1MALT1
SCHEMBL4720427 0.77 NPC1 (0.41) KCNH3ALDH1A1KDM4EUTS2RCYP3A4
SCHEMBL4280552 0.77 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2CYP2C19CYP3A4
SCHEMBL9505875 0.76 KCNH3 (0.41) KCNH3ALDH1A1SMN1; SMN2UTS2RLMNA
SCHEMBL1388526 0.76
SCHEMBL933771 0.75 RAD52 (0.45) ALDH1A1KDM4ECYP2C19MAPK1KMT2A
SCHEMBL19306613 0.74 ALDH1A1 (0.57) ALDH1A1CYP2C19
SCHEMBL4631079 0.73 ADORA2A (0.31) MEN1KMT2A
SCHEMBL5487787 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US claimed
CN-107690434-B Fused tricyclic imidazopyrazine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2021-07-30 CN 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-3080129-B1 IMIDAZOTRIAZINE 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-3080112-B1 IMIDAZOPYRIDINE 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
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2014009296-A1 IMIDAZOPYRAZINE 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
EP-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
EP-1606277-B1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-05-14 EP disclosed
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 US disclosed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP disclosed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US disclosed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 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 (1 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-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 KCNH3 267/4885ALDH1A1 2213/4885KDM4E 958/4885

“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.