SCHEMBL25301262

SCHEMBL25301262

Cc1cc(Cl)nc(Br)c1NC1CN(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 4/20 0.35
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
HRH4 Q9H3N8 2/20 0.33
KRAS P01116 3/20 0.32
EHMT2 Q96KQ7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
POLB P06746 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL25238790 0.83 EHMT2 (0.48) EHMT2ALDH1A1MAPK1POLB
SCHEMBL25291355 0.79 CCNK (0.39) GFERCCNKCDK12HRH4EHMT2
SCHEMBL25251140 0.74 PIK3CD (0.38) CCNKCDK12ALDH1A1
SCHEMBL25252845 0.74 GFER (0.39) GFERCCNKCDK12
SCHEMBL25237461 0.73 CHRM4 (0.38)
SCHEMBL23089743 0.72 JAK3 (0.38) GFERHRH4POLB
SCHEMBL25297742 0.72 ALDH1A1 (0.40) HRH4ALDH1A1MAPK1SMN1; SMN2TAAR1
SCHEMBL25884356 0.70 KDM4E (0.36) ALDH1A1
SCHEMBL25285366 0.67 TAAR1 (0.40) ALDH1A1MAPK1SMN1; SMN2TAAR1
SCHEMBL25739619 0.66 USP30 (0.48) EHMT2ALDH1A1MAPK1

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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 GFER 2658/4885CCNK 2189/4885CDK12 2313/4885

“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.