SCHEMBL2177541

SCHEMBL2177541

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](Nc2ccc(C#N)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 12/20 0.55
CDK12 Q9NYV4 12/20 0.55
CCNA2 P20248 9/20 0.55
CDK2 P24941 9/20 0.55
CCR6 P51684 7/20 0.52
DPP4 P27487 1/20 0.52
CDK13 Q14004 2/20 0.46
CCNT1 O60563 1/20 0.46
CDK14 O94921 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
CCNH P51946 1/20 0.46
MNAT1 P51948 1/20 0.46
CDK3 Q00526 1/20 0.46
CDK6 Q00534 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK18 Q07002 1/20 0.46

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
SCHEMBL2177547 1.00 CCNK (0.55) CCNKCDK12CCNA2CDK2CCR6
SCHEMBL15204516 0.83 HCAR3 (0.48) CCNKCDK12CCNA2CDK2CCR6
SCHEMBL15204853 0.83 HCAR3 (0.48) CCNKCDK12CCNA2CDK2CCR6
SCHEMBL15204517 0.83 HCAR3 (0.48) CCNKCDK12CCNA2CDK2CCR6
SCHEMBL1937748 0.81 IRAK4 (0.47)
SCHEMBL1937750 0.81 IRAK4 (0.47)
SCHEMBL1937694 0.81 HCAR3 (0.54) CCR6
SCHEMBL1937691 0.81 HCAR3 (0.54) CCR6
SCHEMBL15717203 0.80 CCNK (0.62) CCNKCDK12CCNA2CDK2CCR6
SCHEMBL1936697 0.79 GPR65 (0.38) CCNKCDK12CCNA2CDK2CCR6

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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 CCNK 3148/4885CDK12 1081/4885CCNA2 3023/4885

“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.