SCHEMBL13615327

SCHEMBL13615327

CC(C)(C)OC(=O)N1CCCC(Cc2nnc(C(N)=O)c3sc(-c4cc(Cl)cc(Cl)c4)cc23)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.41
GLS O94925 2/20 0.40
CHEK2 O96017 2/20 0.40
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
BACE1 P56817 2/20 0.38
CHEK1 O14757 2/20 0.38
CTSD P07339 1/20 0.38
FEN1 P39748 2/20 0.37
ALOX5AP P20292 1/20 0.37
IRAK1 P51617 1/20 0.37
BTK Q06187 1/20 0.35
CYP2C9 P11712 1/20 0.35
BCHE P06276 1/20 0.35
HTR6 P50406 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL981586 0.94 CHEK1 (0.45) ACKR3GLSCHEK2FNTAFNTB
SCHEMBL4355506 0.90 ACKR3 (0.40) ACKR3GLSCHEK2FNTAFNTB
SCHEMBL981337 0.89 CHEK1 (0.44) ACKR3CHEK2FNTAFNTBCHEK1
SCHEMBL1496097 0.88 ACKR3 (0.46) ACKR3GLSCHEK2FNTAFNTB
SCHEMBL13085776 0.86 CHEK1 (0.42) CHEK1
SCHEMBL4342898 0.84 ACKR3 (0.42) ACKR3GLSCHEK2FNTAFNTB
SCHEMBL982318 0.84 CHEK1 (0.46) CHEK2FNTAFNTBCHEK1CNR1
SCHEMBL12922027 0.82 CHEK1 (0.46) CHEK1HTR6CNR1CNR2
SCHEMBL13615283 0.79 ALDH1A1 (0.43) ACKR3FNTAFNTBFEN1ALOX5AP
SCHEMBL1496132 0.78 ACKR3 (0.44) ACKR3GLSFNTAFNTBFEN1

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-8318740-B2 Compounds for protein kinase inhibition WU ZHANGGUI (US) 2012-11-27 US disclosed
US-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition WU ZHANGGUI 2009-11-05 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-20090275585-A1 Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition CHEK2, CHEK1, PLK1 ACKR3 3285/4885GLS 1898/4885CHEK2 1/4885

“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.