SCHEMBL21961968

SCHEMBL21961968

Cc1cccc([C@@H](C)NC(=O)c2ncc(-c3c[nH]c4ncc(N5CCOCC5)cc34)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.49
MAP4K1 Q92918 3/20 0.44
IL2 P60568 1/20 0.44
STK4 Q13043 2/20 0.44
STK3 Q13188 2/20 0.44
LRRK2 Q5S007 2/20 0.44
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
RIPK1 Q13546 1/20 0.40
PLCG1 P19174 1/20 0.39

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
SCHEMBL21961970 1.00 MAPK1 (0.49) MAPK1MAP4K1IL2STK4STK3
SCHEMBL22011148 1.00 MAPK1 (0.49) MAPK1MAP4K1IL2STK4STK3
SCHEMBL21961967 0.92 MAPK1 (0.50) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL21962015 0.92 MAPK1 (0.50) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL21961966 0.92 MAPK1 (0.50) MAPK1MAP4K1IL2CLK1DYRK1A
SCHEMBL21961978 0.91 MAPK1 (0.60) MAPK1MAP4K1IL2STK4STK3
SCHEMBL21961981 0.91 MAPK1 (0.60) MAPK1MAP4K1IL2STK4STK3
SCHEMBL21961994 0.89 MAPK1 (0.49) MAPK1MAP4K1IL2RIPK1RAF1
SCHEMBL21961995 0.89 MAPK1 (0.49) MAPK1MAP4K1IL2RIPK1RAF1
SCHEMBL21962020 0.87 MAPK1 (0.47) MAPK1MAP4K1IL2CLK1DYRK1A

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 4 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
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 11/4885MAP4K1 12/4885IL2 3843/4885
US-12428416-B2 ERK inhibitors and uses thereof MAPKAPK2, MAPK3, MAP4K2 MAPK1 11/4885MAP4K1 12/4885IL2 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.