SCHEMBL22011152

SCHEMBL22011152

O=C(NCCc1ccccc1)c1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)nn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.47
GSK3B P49841 2/20 0.44
TP53 P04637 1/20 0.44
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
SCD O00767 1/20 0.42
NAPEPLD Q6IQ20 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
APOBEC3A P31941 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SNCA P37840 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
SCHEMBL24179503 0.89 HIF1A (0.52) MAPK1GSK3BCLK1DYRK1ASCD
SCHEMBL22011144 0.88 MAPK1 (0.47) MAPK1GSK3BTP53CLK1DYRK1A
SCHEMBL24179276 0.88 MAPK1 (0.40) MAPK1GSK3BTP53CLK1DYRK1A
SCHEMBL22011141 0.85 MAPK1 (0.52) MAPK1GSK3BTP53CLK1DYRK1A
SCHEMBL21961944 0.77 SNCA (0.51) MAPK1GSK3BCLK1DYRK1ASNCA
SCHEMBL21961959 0.77 MAPK1 (0.49) MAPK1GSK3BCLK1DYRK1ASMN1; SMN2
SCHEMBL21962009 0.76 CLK1 (0.54) MAPK1GSK3BCLK1DYRK1A
SCHEMBL22011267 0.75 MAPK1 (0.49) MAPK1GSK3BCLK1DYRK1APOLB
SCHEMBL31689710 0.75 MAPK1 (0.49) MAPK1GSK3BCLK1DYRK1APOLB
SCHEMBL21961937 0.74 MAPK1 (0.51) MAPK1GSK3BTP53CLK1DYRK1A

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 3 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
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

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 MAPK1 11/4885GSK3B 358/4885TP53 215/4885

“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.