SCHEMBL21967076

SCHEMBL21967076

CCOC(C#Cc1cnc(Cl)nc1N[C@H](CNC(=O)O)c1ccccc1)OCC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 10/20 0.33
AURKA O14965 8/20 0.33
METAP1 P53582 2/20 0.31
METAP2 P50579 1/20 0.31
MAP4K1 Q92918 2/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP4K3 Q8IVH8 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL21967077 1.00 RPS6KB1 (0.33) RPS6KB1AURKAMETAP1METAP2MAP4K1
SCHEMBL15238261 0.90 STK17B (0.40) RPS6KB1AURKA
SCHEMBL2723226 0.90 STK17B (0.40) RPS6KB1AURKA
SCHEMBL20584282 0.90 STK17B (0.40) RPS6KB1AURKA
SCHEMBL21967074 0.83 STK17B (0.33)
SCHEMBL17595889 0.82 STK17B (0.31)
SCHEMBL21967068 0.82
SCHEMBL21967069 0.82
SCHEMBL23868090 0.82 NR3C1 (0.31)
SCHEMBL2725643 0.79 STK17B (0.38)

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-20210395259-A1 CDK INHIBITORS G1 THERAPEUTICS, INC. (US) 2021-12-23 US disclosed
US-10660896-B2 Transient protection of normal cells during chemotherapy GI Therapeutics, Inc. (US) 2020-05-26 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-20210395259-A1 CDK INHIBITORS CDK3, CDK9, CDK6 RPS6KB1 486/4885AURKA 64/4885METAP1 4241/4885
US-10660896-B2 Transient protection of normal cells during chemotherapy CDK6, CCNC, MCL1 RPS6KB1 622/4885AURKA 345/4885METAP1 3002/4885

“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.