SCHEMBL21961944

SCHEMBL21961944

O=C(NCCc1cccc(F)c1)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.51
MAPK1 P28482 12/20 0.49
SRC P12931 1/20 0.46
CLK1 P49759 2/20 0.46
DYRK1A Q13627 2/20 0.46
GSK3B P49841 1/20 0.44
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44
LRRK2 Q5S007 1/20 0.44
IL2 P60568 1/20 0.42
MAP4K1 Q92918 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
SCHEMBL21961959 0.92 MAPK1 (0.49) SNCAMAPK1CLK1DYRK1AGSK3B
SCHEMBL22011141 0.92 MAPK1 (0.52) SNCAMAPK1CLK1DYRK1AGSK3B
SCHEMBL22011267 0.91 MAPK1 (0.49) SNCAMAPK1CLK1DYRK1AGSK3B
SCHEMBL31689710 0.91 MAPK1 (0.49) SNCAMAPK1CLK1DYRK1AGSK3B
SCHEMBL21961969 0.87 MAPK1 (0.51) SNCAMAPK1CLK1DYRK1AGSK3B
SCHEMBL21962009 0.85 CLK1 (0.54) MAPK1CLK1DYRK1AGSK3BIL2
SCHEMBL21961937 0.85 MAPK1 (0.51) SNCAMAPK1CLK1DYRK1AGSK3B
SCHEMBL22011271 0.85 GSK3B (0.51) MAPK1CLK1DYRK1AGSK3BIL2
SCHEMBL31689709 0.85 GSK3B (0.51) MAPK1CLK1DYRK1AGSK3BIL2
SCHEMBL21961975 0.84 MAPK1 (0.53) SNCAMAPK1CLK1DYRK1AGSK3B

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 7 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
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
CN-113423707-A ERK inhibitors and uses thereof 加利福尼亚技术学院 2021-09-21 CN disclosed
WO-2020102686-A1 ERK INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-05-22 WO 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 SNCA 4589/4885MAPK1 11/4885SRC 95/4885
US-12428416-B2 ERK inhibitors and uses thereof MAPKAPK2, MAPK3, MAP4K2 SNCA 4589/4885MAPK1 11/4885SRC 95/4885

“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.