SCHEMBL3328859

SCHEMBL3328859

COc1cc(Cl)c(CC(=O)N2CCC(c3ccc(N)cc3)=N2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HCRTR1 O43613 1/20 0.39
PDE4B Q07343 2/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
PGR P06401 4/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL14037180 0.93 HPGD (0.50) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3323851 0.91 MAOB (0.51) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326281 0.88 MAOB (0.48) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3324050 0.88 MAOB (0.50) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326979 0.87 MAOB (0.48) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3328607 0.86 ALDH1A1 (0.47) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326978 0.84 ABCB1 (0.48) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3325367 0.84 ALDH1A1 (0.45) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326616 0.84 MAOB (0.45) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3325207 0.84 MAOB (0.44) MAOBALDH1A1HPGDRAB9ASMN1; SMN2

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 7 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
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
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 MAOB 4014/4885ALDH1A1 1479/4885HPGD 2944/4885

“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.