SCHEMBL20955933

SCHEMBL20955933

CSc1ncc(C(=O)O)c(N[C@@H]2COC[C@@]2(C)O)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SYK P43405 2/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NTRK1 P04629 1/20 0.33
PDE4B Q07343 3/20 0.33
TYK2 P29597 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL20955932 1.00 NR3C1 (0.36) NR3C1PGRARKDM4EMEN1
SCHEMBL19863577 0.86 ALDH1A1 (0.53) KDM4EMEN1KMT2ASYKALDH1A1
SCHEMBL29595384 0.81 HTT (0.39) NR3C1PGRARALDH1A1MAPT
SCHEMBL29798910 0.81 HTT (0.39) NR3C1PGRARALDH1A1MAPT
SCHEMBL19863579 0.81 HTT (0.39) NR3C1PGRARALDH1A1MAPT
SCHEMBL5748532 0.76 PDE4B (0.44) MEN1KMT2ASYKPDE4B
SCHEMBL15249748 0.76 SYK (0.51) MEN1KMT2ASYKPDE4B
SCHEMBL23948514 0.75 PDE4B (0.48) MEN1KMT2ASYKPDE4B
SCHEMBL23948144 0.75 IRAK4 (0.38) MEN1KMT2ASYKPDE4B
SCHEMBL1226594 0.73 MEN1 (0.49) MEN1KMT2ASYK

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-10800783-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2020-10-13 US disclosed
US-20190135817-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2019-05-09 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-10800783-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 NR3C1 1588/4885PGR 210/4885AR 986/4885
US-20190135817-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 NR3C1 1588/4885PGR 210/4885AR 986/4885

“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.