SCHEMBL2321273

SCHEMBL2321273

Cn1cc(-c2cc3c(nn2)C2CCC3C2)c(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
IDH1 O75874 3/20 0.38
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33
NTRK1 P04629 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PRKDC P78527 1/20 0.33
WDR5 P61964 1/20 0.33
ATR Q13535 1/20 0.32
PDE10A Q9Y233 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL2329069 0.83 CDK2 (0.32) BRD4
SCHEMBL2325632 0.72 TRPA1 (0.43) CYP2C19CYP3A4CYP1A2CYP2C9
SCHEMBL2323395 0.71 KDM4E (0.30)
SCHEMBL2325391 0.70 AR (0.40)
SCHEMBL2322258 0.70 NOTUM (0.34)
SCHEMBL2329110 0.69 MAP4K1 (0.32)
SCHEMBL2325071 0.69 ACHE (0.34)
SCHEMBL2324690 0.69 TRPA1 (0.35)
SCHEMBL15730071 0.69 IDH1 (0.40) CYP2C19CYP3A4IDH1ALDH1A1L3MBTL1
SCHEMBL21819818 0.69 PRMT5 (0.39) CYP2C19CYP3A4IDH1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP claimed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US 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
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 CYP2C19 51/4885CYP3A4 60/4885IDH1 229/4885

“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.