SCHEMBL3326586

SCHEMBL3326586

O=C(Cc1cc(F)ccc1Cl)N1CCC(c2ccc(O)cc2)=N1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.47
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 3/20 0.41
TP53 P04637 1/20 0.37
DRD1 P21728 1/20 0.37
MAPK1 P28482 1/20 0.37
HCRTR1 O43613 1/20 0.36
GRIN2B Q13224 2/20 0.35
GRIN1 Q05586 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
SCHEMBL3327737 0.87 ALDH1A1 (0.42) PGRALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3328697 0.86 PGR (0.40) PGRALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13299663 0.83 ALDH1A1 (0.43) PGRALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3325321 0.83 ALDH1A1 (0.41) PGRALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3323851 0.83 MAOB (0.51) PGRALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3327584 0.82 PGR (0.43) PGRALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326388 0.82 ERCC1 (0.48) PGRALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981737 0.81 ME2 (0.51) PGRALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3323500 0.79 ALDH1A1 (0.47) PGRALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326908 0.78 PGR (0.40) PGRALDH1A1HPGDRAB9ASMN1; 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 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
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US 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 PGR 956/4885ALDH1A1 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.