SCHEMBL3327673

SCHEMBL3327673

C#CCNC(=O)Nc1ccc(C2=NN(C(=O)Cc3cc(OC)c(OC)cc3Br)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
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
ABCB1 P08183 5/20 0.38
P2RX7 Q99572 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ROCK2 O75116 5/20 0.35
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL14037193 0.94 ALDH1A1 (0.42) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13299684 0.89 ALDH1A1 (0.44) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326805 0.89 ABCB1 (0.46) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3328887 0.85 MAOB (0.48) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326328 0.82 HPGD (0.42) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326335 0.82 HPGD (0.42) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3326527 0.82 MAOB (0.51) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3327677 0.81 ALDH1A1 (0.45) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3324050 0.81 MAOB (0.50) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3328229 0.79 MAOB (0.51) 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 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 MAOB 4014/4885ALDH1A1 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.