SCHEMBL21961980

SCHEMBL21961980

CC(NC(=O)c1ncc(-c2c[nH]c3ncc(N4C[C@@H](C)O[C@@H](C)C4)cc23)cn1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
LIMK2 P53671 2/20 0.43
SGK1 O00141 4/20 0.42
POLB P06746 1/20 0.42
GSK3B P49841 1/20 0.40
CAMKK2 Q96RR4 3/20 0.40
AXL P30530 6/20 0.38
NEK1 Q96PY6 1/20 0.38

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
SCHEMBL22011263 1.00 MAPK1 (0.47) MAPK1LIMK2SGK1POLBGSK3B
SCHEMBL21961979 1.00 MAPK1 (0.47) MAPK1LIMK2SGK1POLBGSK3B
SCHEMBL22011264 0.90 LRRK2 (0.44) MAPK1LIMK2SGK1
SCHEMBL21962028 0.90 LRRK2 (0.44) MAPK1LIMK2SGK1
SCHEMBL21962025 0.90 LRRK2 (0.44) MAPK1LIMK2SGK1
SCHEMBL21962027 0.90 LRRK2 (0.44) MAPK1LIMK2SGK1
SCHEMBL21962015 0.86 MAPK1 (0.50) MAPK1GSK3B
SCHEMBL21961967 0.86 MAPK1 (0.50) MAPK1GSK3B
SCHEMBL21961966 0.86 MAPK1 (0.50) MAPK1GSK3B
SCHEMBL21962013 0.84 MAPK1 (0.46) MAPK1LIMK2SGK1GSK3BCAMKK2

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 11/4885LIMK2 314/4885SGK1 131/4885
US-12428416-B2 ERK inhibitors and uses thereof MAPKAPK2, MAPK3, MAP4K2 MAPK1 11/4885LIMK2 314/4885SGK1 131/4885

“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.