SCHEMBL20116282

SCHEMBL20116282

Cc1ccnc(C(O)C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NOS2 P35228 2/20 0.42
MEN1 O00255 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
PLAU P00749 1/20 0.39
FDPS P14324 1/20 0.38
KDM5A P29375 1/20 0.36
APLNR P35414 1/20 0.35
HRH1 P35367 1/20 0.35
CXCR4 P61073 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP2A6 P11509 1/20 0.33
METAP2 P50579 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
SCHEMBL26916427 0.83 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL643383 0.83 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL17108554 0.79 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL29453940 0.79 UHRF1 (0.52) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL179530 0.79 UHRF1 (0.52) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL12782211 0.78 KDM4C (0.41) KMT2AMEN1KDM5AMAPTALDH1A1
SCHEMBL22425046 0.78 UHRF1 (0.43) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL6472037 0.77 UHRF1 (0.63) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL26271662 0.76 UHRF1 (0.45) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL5545976 0.76 UHRF1 (0.41) UHRF1CCR1CCR5CCR8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2022-05-26 US disclosed
WO-2020182666-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-09-17 WO disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 IL17A, IL15, IL2 UHRF1 1327/4885CCR1 379/4885CCR5 488/4885

“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.