SCHEMBL21961994

SCHEMBL21961994

C[C@@H](NC(=O)c1ncc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cn1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.49
KIT P10721 1/20 0.43
RAF1 P04049 8/20 0.43
BRAF P15056 8/20 0.43
WDR5 P61964 1/20 0.43
SOS1 Q07889 1/20 0.42
IL2 P60568 1/20 0.42
MAP4K1 Q92918 1/20 0.42
PDE2A O00408 1/20 0.42
RIPK1 Q13546 1/20 0.41
NTRK1 P04629 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
SCHEMBL21961995 1.00 MAPK1 (0.49) MAPK1KITRAF1BRAFWDR5
SCHEMBL22011148 0.89 MAPK1 (0.49) MAPK1RAF1BRAFIL2MAP4K1
SCHEMBL21961970 0.89 MAPK1 (0.49) MAPK1RAF1BRAFIL2MAP4K1
SCHEMBL21961968 0.89 MAPK1 (0.49) MAPK1RAF1BRAFIL2MAP4K1
SCHEMBL21962015 0.89 MAPK1 (0.50) MAPK1IL2MAP4K1
SCHEMBL21961967 0.89 MAPK1 (0.50) MAPK1IL2MAP4K1
SCHEMBL21961966 0.89 MAPK1 (0.50) MAPK1IL2MAP4K1
SCHEMBL21961981 0.88 MAPK1 (0.60) MAPK1IL2MAP4K1
SCHEMBL21961978 0.88 MAPK1 (0.60) MAPK1IL2MAP4K1
SCHEMBL21961999 0.84 MAPK1 (0.51) MAPK1KITIL2MAP4K1

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 6 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
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
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 11/4885KIT 2986/4885RAF1 78/4885
US-12428416-B2 ERK inhibitors and uses thereof MAPKAPK2, MAPK3, MAP4K2 MAPK1 11/4885KIT 2986/4885RAF1 78/4885

“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.