SCHEMBL17870360

SCHEMBL17870360

O=c1[nH]cnc2c1CCOC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 11/20 0.42
TNKS2 Q9H2K2 11/20 0.42
TNKS O95271 1/20 0.42
SRC P12931 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHEK1 O14757 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
ADORA2A P29274 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
XDH P47989 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL14603966 0.86 TNKS2 (0.44) WNT3ATNKS2TNKSSRCALDH1A1
SCHEMBL29943600 0.83 SRC (0.39) WNT3ATNKS2SRCALDH1A1TSHR
SCHEMBL1073971 0.77
SCHEMBL5105606 0.73
SCHEMBL3542410 0.73 NPSR1 (0.49) SRCALDH1A1TSHRNPSR1CHEK1
SCHEMBL2624085 0.73 TSHR (0.49) WNT3ATNKS2TNKSSRCALDH1A1
SCHEMBL13911357 0.72 GAA (0.50) WNT3ATNKS2TNKSSRCALDH1A1
SCHEMBL12349970 0.72 GAA (0.50) WNT3ATNKS2TNKSSRCALDH1A1
SCHEMBL4691404 0.70 HTT (0.65) ALDH1A1TSHRNPSR1CHEK1HTT
SCHEMBL9923704 0.69

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2016-06-30 US claimed

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-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 WNT3A 4036/4885TNKS2 1345/4885TNKS 1058/4885

“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.