SCHEMBL3326388

SCHEMBL3326388

O=C(Cc1ccc(Cl)cc1Cl)N1CCC(c2ccc(O)cc2)=N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
PGR P06401 6/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
P2RX7 Q99572 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOB P27338 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
SCHEMBL13299663 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL3323348 0.86 PGR (0.42) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL3327737 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL3326908 0.84 PGR (0.40) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL982007 0.83 ME2 (0.51) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL3323851 0.82 MAOB (0.51) KMT2AALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3326586 0.82 PGR (0.47) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL3323500 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL3328697 0.79 PGR (0.40) KMT2AALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3327584 0.77 PGR (0.43) KMT2AALDH1A1SMN1; SMN2HPGDRAB9A

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 ERCC1 2966/4885ERCC4 2874/4885KMT2A 3775/4885

“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.