SCHEMBL1386432

SCHEMBL1386432

CCCc1c(-c2cc(C3CC3)c(C3CC3)nn2)cnn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
C1S P09871 1/20 0.41
ALDH1A1 P00352 8/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 6/20 0.38
MAPK1 P28482 3/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
MAPK14 Q16539 2/20 0.38
NR4A3 Q92570 1/20 0.38
SLC9A1 P19634 1/20 0.37
SLC9A2 Q9UBY0 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
SCHEMBL1385369 0.83 GRM4 (0.41) KEAP1NFE2L2ALDH1A1MAPTMAPK1
SCHEMBL2324843 0.77 MEN1 (0.40) ALDH1A1
SCHEMBL1386437 0.77 C1S (0.41) C1SALDH1A1LMNAPKMPOLB
SCHEMBL2327315 0.76 GRM4 (0.39) KEAP1NFE2L2ALDH1A1MAPTMAPK1
SCHEMBL12203848 0.66 ALDH1A1 (0.51) ALDH1A1LMNAPKMPOLBMAPT
SCHEMBL4885646 0.65 ALDH1A1 (0.39) KEAP1NFE2L2ALDH1A1LMNAPKM
SCHEMBL23399438 0.65 NR4A3 (0.53) ALDH1A1LMNAPKMPOLBMAPT
SCHEMBL2123401 0.65 NR4A3 (0.49) ALDH1A1LMNAPKMPOLBMAPT
SCHEMBL773204 0.64 NR4A3 (0.78) KEAP1NFE2L2ALDH1A1LMNAPOLB
SCHEMBL13593554 0.63 ALDH1A1 (0.63) ALDH1A1LMNAPOLBMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4787321-B2 2011-10-05 JP claimed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP claimed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP claimed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US claimed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO claimed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 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 (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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 KEAP1 724/4885NFE2L2 1398/4885C1S 736/4885

“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.