SCHEMBL15414741

SCHEMBL15414741

O=[N+]([O-])Cc1c(O)n[c]nc1N1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
MAPK1 P28482 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 3/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC29A1 Q99808 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL16792294 0.72 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1CYP1A2CYP2C9
SCHEMBL15415567 0.65 SCN10A (0.32) ALDH1A1MAPTCYP2C9CYP2C19TDP1
SCHEMBL15415886 0.65 ALDH1A1 (0.33) ALDH1A1MAPTCYP2C9CYP2C19TDP1
SCHEMBL15416208 0.64 KCNH2 (0.35) ALDH1A1
SCHEMBL15414683 0.62 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1CYP1A2CYP2C19
SCHEMBL16792290 0.60
SCHEMBL15415334 0.59 MAPT (0.45) ALDH1A1MAPTMAPK1CYP1A2CYP2C9
SCHEMBL15415915 0.59 HPGD (0.33)
SCHEMBL15415168 0.59 CHRM3 (0.37) ALDH1A1MAPTCYP2C9CYP2C19TDP1
SCHEMBL15415897 0.59 HPGD (0.37) ALDH1A1MAPTMAPK1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080128-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-3080127-B1 IMIDAZOPYRIMIDINE 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-3303337-B1 FUSED TRICYCLIC IMIDAZO PYRAZINES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-05-27 EP disclosed
EP-3080111-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-05-27 EP disclosed
EP-3080118-B1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-03-04 EP disclosed
US-10472362-B2 Fused tricyclic imidazo pyrazines as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2019-11-12 US disclosed
WO-2015086513-A1 TETRAHYDROBENZIMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086502-A1 PYRAZOLOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086520-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086506-A1 FUSED IMIDAZOLE AND PYRAZOLE 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-2015086507-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086508-A1 BENZOTRIAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
WO-2015086526-A1 FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 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-10472362-B2 Fused tricyclic imidazo pyrazines as modulators of TNF activity TNF, TNFRSF1A, TNFRSF9 ALDH1A1 1283/4885MAPT 1718/4885MAPK1 421/4885

“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.