SCHEMBL1382947

SCHEMBL1382947

FC(F)(F)c1c(-c2cc3c(nn2)CCCC3)cnn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 9/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 8/20 0.40
HTT P42858 6/20 0.40
LMNA P02545 6/20 0.40
NPSR1 Q6W5P4 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
PDK2 Q15119 1/20 0.33

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
SCHEMBL1383415 0.99 POLB (0.45) POLBSMN1; SMN2MAPTALDH1A1HTT
SCHEMBL1382475 0.89 LMNA (0.47) POLBSMN1; SMN2MAPTALDH1A1HTT
SCHEMBL1384289 0.89 LMNA (0.47) POLBSMN1; SMN2MAPTALDH1A1HTT
SCHEMBL1384543 0.88 LMNA (0.39) POLBSMN1; SMN2MAPTALDH1A1HTT
SCHEMBL1386033 0.81 GRM4 (0.41) SMN1; SMN2MEN1KMT2AKDM4EHPGD
SCHEMBL1382991 0.78 KDM4E (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1386437 0.77 C1S (0.41) POLBMAPTALDH1A1LMNARAB9A
SCHEMBL1384185 0.72 CNR2 (0.41) CYP1A2CYP3A4CYP2C19
SCHEMBL1382864 0.72 CNR2 (0.41) CYP1A2CYP3A4CYP2C19
SCHEMBL2322566 0.68 POLB (0.42) POLBSMN1; SMN2MAPTALDH1A1HTT

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
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO claimed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US 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 POLB 2698/4885SMN1; SMN2 2843/4885MAPT 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.