SCHEMBL21961969

SCHEMBL21961969

O=C(NCCc1ccccc1F)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.51
GSK3B P49841 1/20 0.46
SNCA P37840 1/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
HIF1A Q16665 3/20 0.44
LRRK2 Q5S007 1/20 0.43
IL2 P60568 1/20 0.42
MAP4K1 Q92918 1/20 0.42
ALK Q9UM73 1/20 0.41
PDE4B Q07343 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL21961937 0.91 MAPK1 (0.51) MAPK1GSK3BSNCACLK1DYRK1A
SCHEMBL21961975 0.90 MAPK1 (0.53) MAPK1GSK3BSNCACLK1DYRK1A
SCHEMBL22011270 0.90 MAPK1 (0.57) MAPK1GSK3BSNCACLK1DYRK1A
SCHEMBL31689711 0.90 MAPK1 (0.57) MAPK1GSK3BSNCACLK1DYRK1A
SCHEMBL22011141 0.88 MAPK1 (0.52) MAPK1GSK3BSNCACLK1DYRK1A
SCHEMBL21961984 0.88 MAPK1 (0.49) MAPK1GSK3BSNCACLK1DYRK1A
SCHEMBL21961944 0.87 SNCA (0.51) MAPK1GSK3BSNCACLK1DYRK1A
SCHEMBL21961959 0.87 MAPK1 (0.49) MAPK1GSK3BSNCACLK1DYRK1A
SCHEMBL22011271 0.86 GSK3B (0.51) MAPK1GSK3BCLK1DYRK1AIL2
SCHEMBL31689709 0.86 GSK3B (0.51) MAPK1GSK3BCLK1DYRK1AIL2

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 MAPK1 11/4885GSK3B 358/4885SNCA 4589/4885
US-12428416-B2 ERK inhibitors and uses thereof MAPKAPK2, MAPK3, MAP4K2 MAPK1 11/4885GSK3B 358/4885SNCA 4589/4885

“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.