SCHEMBL3324006

SCHEMBL3324006

CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)=N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR1H2 P55055 1/20 0.48
MAOB P27338 6/20 0.45
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
PGR P06401 1/20 0.36
HCRTR1 O43613 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
ATR Q13535 1/20 0.36
AURKB Q96GD4 1/20 0.36
GAA P10253 1/20 0.36
JAK3 P52333 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3326866 0.82 ALDH1A1 (0.53) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3356617 0.81 ALDH1A1 (0.50) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3327561 0.80 PTPN2 (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL31722258 0.71 NR1H2 (0.43) NR1H2PTPN2PTPN1PTPN6GPR119
SCHEMBL29227506 0.70 NAMPT (0.60) NR1H2ATR
SCHEMBL2908091 0.70 NAMPT (0.60) NR1H2ATR
SCHEMBL6826022 0.70 USP2 (0.39) HPGDSMN1; SMN2NR1H2GPR119ESR2
SCHEMBL20364200 0.70 MEN1 (0.39) ALDH1A1NR1H2ESR2
SCHEMBL28835616 0.69 NR1H2 (0.56) ALDH1A1RAB9ANR1H2PTPN2PTPN1
SCHEMBL17002448 0.69 NR1H2 (0.52) NR1H2PTPN2PTPN1PTPN6ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148865-B1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH INC (US) 2017-05-17 EP disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
EP-2148865-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING Genentech, Inc. (US) 2010-02-03 EP disclosed
WO-2008137408-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH, INC. (US) 2008-11-13 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-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING WNT1, WNT3A, CTNNB1 ALDH1A1 1479/4885HPGD 2944/4885RAB9A 624/4885

“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.