SCHEMBL17877671

SCHEMBL17877671

CC(=O)CC(C)n1cccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP7 Q93009 2/20 0.33
NOS1 P29475 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HTT P42858 1/20 0.30
ELANE P08246 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL17868459 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1USP7NOS1
SCHEMBL25491332 0.77 MEN1 (0.33) MEN1KMT2ATSHRFDPS
SCHEMBL22125978 0.76
SCHEMBL8428055 0.76
SCHEMBL6434486 0.75 MEN1 (0.37) MEN1KMT2AALDH1A1NOS1TSHR
SCHEMBL24662260 0.74
SCHEMBL3347850 0.74
SCHEMBL24662259 0.74
SCHEMBL22125732 0.73 MEN1 (0.36) MEN1KMT2ANOS1LMNAFDPS
SCHEMBL14637670 0.73 MEN1 (0.36) MEN1KMT2ANOS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902728-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-02-27 US disclosed
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2016-06-30 US 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-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 MEN1 1492/4885KMT2A 2158/4885ALDH1A1 2705/4885

“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.