SCHEMBL3323955

SCHEMBL3323955

COc1ccc(CC(=O)N2CCC(c3ccc(O)c(C)c3)=N2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.42
PDE4B Q07343 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL979299 0.85 MAOB (0.65) MAOBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3324145 0.84 MAOB (0.58) MAOBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3327514 0.83 ALDH1A1 (0.51) MAOBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3324143 0.83 MAOB (0.57) MAOBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL981326 0.83 MAOB (0.65) MAOBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL980754 0.82 MAOB (0.61) MAOBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3325200 0.82 MAOB (0.56) MAOBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL13299689 0.82 MAOB (0.56) MAOBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL981491 0.82 MAOB (0.64) MAOBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL979373 0.82 MAOB (0.67) MAOBALDH1A1HPGDSMN1; SMN2RAB9A

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.