SCHEMBL3356617

SCHEMBL3356617

CCNc1ccc(C2=NN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
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
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
MAOB P27338 6/20 0.39
BCL2 P10415 2/20 0.38
BECN1 Q14457 2/20 0.38
HCRTR1 O43613 1/20 0.38
MTOR P42345 3/20 0.37
NAMPT P43490 1/20 0.36
GPR119 Q8TDV5 5/20 0.36

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
SCHEMBL3327561 0.82 PTPN2 (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2PTPN2
SCHEMBL3324006 0.81 ALDH1A1 (0.49) ALDH1A1HPGDRAB9ASMN1; SMN2PTPN2
SCHEMBL3326866 0.77 ALDH1A1 (0.53) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL13293439 0.68 ADRA2A (0.38) ALDH1A1RAB9ASMN1; SMN2PTPN2PTPN1
SCHEMBL12359781 0.68 CHRM4 (0.49) RAB9AGPR119
SCHEMBL23619645 0.66 CA1 (0.47) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5106835 0.66 CYP17A1 (0.54) NAMPT
SCHEMBL6826022 0.66 USP2 (0.39) HPGDSMN1; SMN2GPR119
SCHEMBL20364200 0.66 MEN1 (0.39) ALDH1A1
SCHEMBL25489259 0.64 NAMPT (0.43) ALDH1A1RAB9ASMN1; SMN2PTPN2PTPN1

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 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.