SCHEMBL3327561

SCHEMBL3327561

CNC(=O)Nc1ccc(C2=NN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
MAOB P27338 4/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 5/20 0.42
MTOR P42345 5/20 0.42
PIK3CG P48736 2/20 0.42
ATR Q13535 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
BCL2 P10415 1/20 0.40
BECN1 Q14457 1/20 0.40
NAMPT P43490 1/20 0.40
ABCB1 P08183 1/20 0.40
CYP17A1 P05093 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL3356617 0.82 ALDH1A1 (0.50) PTPN2PTPN1PTPN6MAOBALDH1A1
SCHEMBL3332046 0.81 GPR119 (0.50) PTPN2PTPN1PTPN6ALDH1A1HPGD
SCHEMBL3324006 0.80 ALDH1A1 (0.49) PTPN2PTPN1PTPN6MAOBALDH1A1
SCHEMBL3326866 0.76 ALDH1A1 (0.53) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3325295 0.73 MAOB (0.46) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3328522 0.72 MAOB (0.52) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13853617 0.71 NAMPT (0.66) PTPN2PTPN1PTPN6ALDH1A1SMN1; SMN2
SCHEMBL13671324 0.71 EPHX2 (0.67) PTPN2PTPN1PTPN6HPGDNAMPT
SCHEMBL3326978 0.71 ABCB1 (0.48) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326805 0.71 ABCB1 (0.46) 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 4 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
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 PTPN2 2223/4885PTPN1 1578/4885PTPN6 1965/4885

“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.