SCHEMBL3328774

SCHEMBL3328774

CN(C(=O)C(F)(F)F)c1ccc(C2=NN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
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
TGM2 P21980 1/20 0.38
MAOB P27338 6/20 0.37
PAX8 Q06710 1/20 0.36
HDAC4 P56524 1/20 0.34
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
SCD5 Q86SK9 1/20 0.33
ESR2 Q92731 1/20 0.33
MMP13 P45452 1/20 0.32
HCRTR1 O43613 1/20 0.32
USP30 Q70CQ3 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL3324006 0.78 ALDH1A1 (0.49) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL31700796 0.76 NAMPT (0.55)
SCHEMBL3326866 0.74 ALDH1A1 (0.53) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3356617 0.74 ALDH1A1 (0.50) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3327561 0.73 PTPN2 (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3332046 0.73 GPR119 (0.50) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL27178802 0.72 MAPT (0.56) ALDH1A1SMN1; SMN2TGM2KMT2AGPR119
SCHEMBL31700443 0.70 NAMPT (0.54) TGM2KMT2AGPR119PTPN2PTPN1
Hydrochloric Acid SCHEMBL3327730 0.68 MAPT (0.33) SMN1; SMN2
SCHEMBL8250910 0.67 NPY2R (0.45) ALDH1A1HPGDSMN1; SMN2TGM2KMT2A

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.