SCHEMBL22011271

SCHEMBL22011271

O=C(NCCc1ccccn1)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.51
MAPK1 P28482 7/20 0.48
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
NPC1 O15118 1/20 0.46
MAP4K1 Q92918 2/20 0.43
IL2 P60568 1/20 0.43
KLKB1 P03952 1/20 0.41
PLCG1 P19174 1/20 0.41
PIK3CA P42336 3/20 0.41
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
SCHEMBL31689709 1.00 GSK3B (0.51) GSK3BMAPK1CLK1DYRK1ANPC1
SCHEMBL22011141 0.89 MAPK1 (0.52) GSK3BMAPK1CLK1DYRK1AMAP4K1
SCHEMBL21961937 0.87 MAPK1 (0.51) GSK3BMAPK1CLK1DYRK1AMAP4K1
SCHEMBL21961969 0.86 MAPK1 (0.51) GSK3BMAPK1CLK1DYRK1AMAP4K1
SCHEMBL21961975 0.86 MAPK1 (0.53) GSK3BMAPK1CLK1DYRK1AMAP4K1
SCHEMBL21961944 0.85 SNCA (0.51) GSK3BMAPK1CLK1DYRK1AMAP4K1
SCHEMBL21961959 0.84 MAPK1 (0.49) GSK3BMAPK1CLK1DYRK1AMAP4K1
SCHEMBL22011270 0.84 MAPK1 (0.57) GSK3BMAPK1CLK1DYRK1AMAP4K1
SCHEMBL21961984 0.84 MAPK1 (0.49) GSK3BMAPK1CLK1DYRK1AMAP4K1
SCHEMBL31689711 0.84 MAPK1 (0.57) GSK3BMAPK1CLK1DYRK1AMAP4K1

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-20220002294-A1 ERK INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-01-06 US 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 (1 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 GSK3B 358/4885MAPK1 11/4885CLK1 428/4885

“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.