SCHEMBL21961981

SCHEMBL21961981

CC(NC(=O)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.60
DYRK1B Q9Y463 1/20 0.45
IL2 P60568 1/20 0.44
MAP4K1 Q92918 1/20 0.44
STK4 Q13043 2/20 0.43
STK3 Q13188 2/20 0.43
LRRK2 Q5S007 2/20 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
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL21961978 1.00 MAPK1 (0.60) MAPK1DYRK1BIL2MAP4K1STK4
SCHEMBL21961970 0.91 MAPK1 (0.49) MAPK1IL2MAP4K1STK4STK3
SCHEMBL21961968 0.91 MAPK1 (0.49) MAPK1IL2MAP4K1STK4STK3
SCHEMBL22011148 0.91 MAPK1 (0.49) MAPK1IL2MAP4K1STK4STK3
SCHEMBL21961999 0.91 MAPK1 (0.51) MAPK1DYRK1BIL2MAP4K1PIK3CD
SCHEMBL21961997 0.91 MAPK1 (0.51) MAPK1DYRK1BIL2MAP4K1PIK3CD
SCHEMBL21961967 0.91 MAPK1 (0.50) MAPK1IL2MAP4K1PIK3CDPIK3CA
SCHEMBL21961966 0.91 MAPK1 (0.50) MAPK1IL2MAP4K1PIK3CDPIK3CA
SCHEMBL21962015 0.91 MAPK1 (0.50) MAPK1IL2MAP4K1PIK3CDPIK3CA
SCHEMBL21961994 0.88 MAPK1 (0.49) MAPK1IL2MAP4K1

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 5 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
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 (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 11/4885DYRK1B 895/4885IL2 3843/4885
US-12428416-B2 ERK inhibitors and uses thereof MAPKAPK2, MAPK3, MAP4K2 MAPK1 11/4885DYRK1B 895/4885IL2 3843/4885

“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.