SCHEMBL23209441

SCHEMBL23209441

O=[SH](=O)CN1CCC(Nc2nc3c(N4CCCCC4)c(-c4cn[nH]c4)ncn3n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
CDC42BPA Q5VT25 2/20 0.34
CDC42BPB Q9Y5S2 2/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
JAK1 P23458 8/20 0.33
JAK2 O60674 3/20 0.33
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MTOR P42345 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAT2A P31153 1/20 0.31
HTR1A P08908 1/20 0.31
CCNK O75909 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
SCHEMBL23209302 0.99 JAK1 (0.34) ROCK2ROCK1CDC42BPACDC42BPBCDC7
SCHEMBL23209445 0.88 CDK4 (0.40) JAK1JAK2CDK4CCND3CCNK
SCHEMBL23209274 0.88 ROCK2 (0.33) ROCK2ROCK1CDC42BPACDC42BPBMAT2A
SCHEMBL23209563 0.87 JAK1 (0.36) JAK1JAK2HTR1ACCNKCDK12
SCHEMBL23209299 0.85 JAK2 (0.45) JAK1JAK2CDK4CCND1CCND3
SCHEMBL23209198 0.84 JAK2 (0.45) JAK1JAK2CDK4CCND1CCND3
SCHEMBL23209306 0.83 JAK1 (0.34) ROCK2JAK1JAK2CDK4CCND3
SCHEMBL23209353 0.83 ROCK2 (0.33) ROCK2JAK1JAK2CCNKCDK12
SCHEMBL23209335 0.83 WNT1 (0.35) JAK1JAK2CDK4CCND3CCNK
SCHEMBL23209263 0.81 JAK1 (0.31) JAK1JAK2

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-20210107901-A1 BICYCLIC AMINES AS CDK2 INHIBITORS INCYTE CORPORATION 2021-04-15 US claimed

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-20210107901-A1 BICYCLIC AMINES AS CDK2 INHIBITORS CDK2, CDK1, CCNI ROCK2 724/4885ROCK1 1466/4885CDC42BPA 165/4885

“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.