SCHEMBL21961960

SCHEMBL21961960

O=C(N[C@H](CO)c1ccccc1)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 15/20 0.60
GSK3B P49841 3/20 0.45
DYRK1A Q13627 2/20 0.45
CLK1 P49759 1/20 0.45
IL2 P60568 1/20 0.43
MAP4K1 Q92918 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
CHEK1 O14757 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42

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
SCHEMBL21961961 1.00 MAPK1 (0.60) MAPK1GSK3BDYRK1ACLK1IL2
SCHEMBL22011156 1.00 MAPK1 (0.60) MAPK1GSK3BDYRK1ACLK1IL2
SCHEMBL21961986 0.90 MAPK1 (0.49) MAPK1GSK3BDYRK1ACLK1IL2
SCHEMBL21961988 0.90 MAPK1 (0.49) MAPK1GSK3BDYRK1ACLK1IL2
SCHEMBL22011275 0.90 MAPK1 (0.49) MAPK1GSK3BDYRK1ACLK1IL2
SCHEMBL22011151 0.90 MAPK1 (0.48) MAPK1GSK3BDYRK1ACLK1IL2
SCHEMBL21962015 0.88 MAPK1 (0.50) MAPK1GSK3BDYRK1ACLK1IL2
SCHEMBL21961966 0.88 MAPK1 (0.50) MAPK1GSK3BDYRK1ACLK1IL2
SCHEMBL21961967 0.88 MAPK1 (0.50) MAPK1GSK3BDYRK1ACLK1IL2
SCHEMBL21961939 0.86 MAPK1 (0.48) MAPK1GSK3BDYRK1ACLK1IL2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428416-B2 ERK inhibitors and uses thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-09-30 US disclosed
US-20220002294-A1 ERK INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-01-06 US disclosed
EP-3880677-A1 ERK INHIBITORS AND USES THEREOF California Institute of Technology (US) 2021-09-22 EP disclosed
WO-2020102686-A1 ERK INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-05-22 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 (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-20220002294-A1 ERK INHIBITORS AND USES THEREOF MAPKAPK2, MAPK3, MAP4K2 MAPK1 11/4885GSK3B 358/4885DYRK1A 1257/4885
US-12428416-B2 ERK inhibitors and uses thereof MAPKAPK2, MAPK3, MAP4K2 MAPK1 11/4885GSK3B 358/4885DYRK1A 1257/4885

“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.