SCHEMBL1385369

SCHEMBL1385369

Cc1c(-c2cc(C3CC3)c(C3CC3)nn2)cnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
PTGS2 P35354 7/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM2 Q14416 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL2327315 0.93 GRM4 (0.39) GRM4PTGS2MAPTALDH1A1NPSR1
SCHEMBL1386432 0.83 KEAP1 (0.42) MAPTALDH1A1KEAP1NFE2L2MAPK1
SCHEMBL2325098 0.74 RORC (0.40) GRM4PTGS2ALDH1A1KMT2AKDM4E
SCHEMBL2324646 0.74 RORC (0.40) GRM4PTGS2ALDH1A1KMT2AKDM4E
SCHEMBL1386033 0.73 GRM4 (0.41) GRM4PTGS2KMT2AKDM4EMEN1
SCHEMBL1383061 0.70 GRM4 (0.40) GRM4PTGS2KMT2AKDM4EMEN1
SCHEMBL2325861 0.69
SCHEMBL2322849 0.67 RAB9A (0.43) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL1384167 0.66 TRPA1 (0.47) KMT2AMEN1
SCHEMBL2329110 0.64 MAP4K1 (0.32)

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 GRM4 2713/4885PTGS2 473/4885MAPT 2099/4885

“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.