SCHEMBL20097149

SCHEMBL20097149

CC(C)n1cnc2c(NCc3ccco3)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 11/20 1.00
CDK1 P06493 11/20 1.00
CCNB1 P14635 11/20 1.00
CCNB3 Q8WWL7 11/20 1.00
CDK2 P24941 2/20 0.67
HTT P42858 1/20 0.59
MAPK1 P28482 1/20 0.56
MAPK8 P45983 1/20 0.56
CSNK1A1 P48729 1/20 0.56
CSNK1D P48730 1/20 0.56
CDK7 P50613 1/20 0.56
CCNH P51946 1/20 0.56
MNAT1 P51948 1/20 0.56
TP53 P04637 2/20 0.54
PAX8 Q06710 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
SLC29A1 Q99808 1/20 0.54
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL20119629 0.84 CDK1 (0.72) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL20097160 0.82 CCNB2 (0.69) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL20097147 0.81 CCNB2 (0.68) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL754120 0.80 CDK1 (1.00) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL30539284 0.80 CDK1 (1.00) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL31711715 0.79 CCNB2 (0.66) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL31711714 0.79 HTT (0.66) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL21311333 0.79 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL20097047 0.79 CCNB2 (0.65) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL457250 0.78 HTT (0.67) CCNB2CDK1CCNB1CCNB3HTT

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 US disclosed
WO-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 CCNB2 4302/4885CDK1 4187/4885CCNB1 4396/4885

“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.