SCHEMBL21082251

SCHEMBL21082251

Cc1[nH]c2cc(F)ccc2c1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KIF11 P52732 2/20 0.49
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
CYP17A1 P05093 1/20 0.43
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DAO P14920 1/20 0.42
VDR P11473 1/20 0.41
FEN1 P39748 1/20 0.39
TNKS2 Q9H2K2 1/20 0.38
PTGS1 P23219 6/20 0.38

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
SCHEMBL23502011 0.86 KIF11 (0.53) MEN1KMT2AKIF11KDM4EVDR
SCHEMBL22167595 0.81 KIF11 (0.53) KIF11VDR
SCHEMBL24576377 0.79 TP53 (0.42) MEN1KMT2AKIF11VDR
SCHEMBL19481419 0.77 AHR (0.52) MEN1KMT2AKIF11CCNB2CDK1
SCHEMBL29507671 0.76 KIF11 (0.61) MEN1KMT2AKIF11CCNB2CDK1
SCHEMBL1517851 0.76 KIF11 (0.61) MEN1KMT2AKIF11CCNB2CDK1
SCHEMBL18949683 0.76 KIF11 (0.49) MEN1KMT2AKIF11CCNB2CDK1
SCHEMBL5262289 0.75 MEN1 (0.43) MEN1KMT2AKIF11CCNB2CDK1
SCHEMBL5199528 0.74 CCNB2 (0.50) MEN1KMT2AKIF11CCNB2CDK1
SCHEMBL8997990 0.73 VDR (0.67) MEN1KMT2AKIF11CCNB2CDK1

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-10633386-B2 BET protein degraders THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-04-28 US disclosed
US-20190169195-A1 BET PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2019-06-06 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 (2 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-10633386-B2 BET protein degraders BRD4, BET1, BRD1 MEN1 1616/4885KMT2A 279/4885KIF11 1059/4885
US-20190169195-A1 BET PROTEIN DEGRADERS BRD4, BET1, BRD1 MEN1 1749/4885KMT2A 315/4885KIF11 1102/4885

“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.