SCHEMBL3326552

SCHEMBL3326552

COc1ccc(CC(=O)N2CCC(c3ccc(NC(=O)Cc4ccccc4)cc3)=N2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
MAPT P10636 5/20 0.58
ALDH1A1 P00352 4/20 0.58
NPSR1 Q6W5P4 4/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 2/20 0.58
POLB P06746 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
BCHE P06276 2/20 0.56
ACHE P22303 2/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 3/20 0.54
EPHX2 P34913 1/20 0.53
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 3/20 0.50
KDR P35968 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL3328765 0.90 ALDH1A1 (0.52) KDM4EMAPTALDH1A1NPSR1HPGD
SCHEMBL3326853 0.88 MAOB (0.54) KDM4EMAPTALDH1A1NPSR1HPGD
SCHEMBL3328522 0.86 MAOB (0.52) KDM4EMAPTALDH1A1NPSR1HPGD
SCHEMBL3325200 0.86 MAOB (0.56) KDM4EMAPTALDH1A1NPSR1HPGD
SCHEMBL979373 0.85 MAOB (0.67) KDM4EALDH1A1HPGDACHEKMT2A
SCHEMBL3326990 0.85 MAOB (0.51) KDM4EMAPTALDH1A1NPSR1HPGD
SCHEMBL3326988 0.85 MAOB (0.51) KDM4EMAPTALDH1A1NPSR1HPGD
SCHEMBL13299677 0.84 MAOB (0.50) KDM4EMAPTALDH1A1NPSR1HPGD
SCHEMBL3323489 0.82 MAOB (0.52) KDM4EMAPTALDH1A1NPSR1HPGD
SCHEMBL3324145 0.81 MAOB (0.58) KDM4EALDH1A1HPGDHSD17B10KMT2A

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 6 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

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 KDM4E 2110/4885MAPT 3689/4885ALDH1A1 1479/4885

“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.