SCHEMBL1386033

SCHEMBL1386033

Cc1c(-c2cc3c(nn2)CCCCC3)cnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
PTGS2 P35354 8/20 0.40
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM2 Q14416 1/20 0.38
DRD4 P21917 2/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
SMO Q99835 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
SCHEMBL1386437 0.84 C1S (0.41) MAPK1RAB9A
SCHEMBL1383415 0.82 POLB (0.45) KDM4EKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL1382947 0.81 POLB (0.46) KDM4EKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL1383061 0.80 GRM4 (0.40) GRM4PTGS2KDM4EKMT2AMEN1
SCHEMBL2328968 0.74 ALDH1A1 (0.45) KDM4EKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL1385369 0.73 GRM4 (0.41) GRM4PTGS2KDM4EKMT2AMEN1
SCHEMBL1382475 0.72 LMNA (0.47) KMT2AMEN1SMN1; SMN2
SCHEMBL1384289 0.72 LMNA (0.47) KMT2AMEN1SMN1; SMN2
SCHEMBL2327315 0.71 GRM4 (0.39) GRM4PTGS2KDM4EKMT2AMEN1
SCHEMBL1384543 0.71 LMNA (0.39) PTGS2KDM4ESMN1; SMN2NPC1RAB9A

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
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 GRM4 2713/4885PTGS2 473/4885KDM4E 1541/4885

“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.