SCHEMBL21961972

SCHEMBL21961972

CC1(C)OC(c2c[nH]c3ncc(N4CCOCC4)cc23)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.41
IL2 P60568 1/20 0.41
MAPK1 P28482 7/20 0.40
CLK1 P49759 2/20 0.37
DYRK1A Q13627 2/20 0.37
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
MET P08581 1/20 0.35
RPS6KA3 P51812 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
TTBK1 Q5TCY1 2/20 0.34
TTBK2 Q6IQ55 2/20 0.34
JAK3 P52333 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL18892042 0.77 MAP4K1 (0.47) MAP4K1IL2MAPK1CLK1DYRK1A
SCHEMBL21961971 0.77 MAPK1 (0.42) MAP4K1IL2MAPK1CLK1DYRK1A
SCHEMBL1487564 0.75 MAP4K1 (0.47) MAP4K1IL2MAPK1CLK1DYRK1A
SCHEMBL21557641 0.73 MAPK1 (0.48) MAP4K1IL2MAPK1CLK1DYRK1A
SCHEMBL1713730 0.72 MAPK1 (0.45) MAP4K1IL2MAPK1CLK1DYRK1A
SCHEMBL20504119 0.71 MAPK1 (0.51) MAP4K1IL2MAPK1CLK1DYRK1A
SCHEMBL31235685 0.69 MAPK1 (0.59) MAP4K1IL2MAPK1CLK1DYRK1A
SCHEMBL1487526 0.69 LRRK2 (0.59) MAP4K1IL2MAPK1CLK1DYRK1A
SCHEMBL26912252 0.69 HSD11B1 (0.50) MAP4K1IL2CLK1DYRK1ARPS6KA3
SCHEMBL25857010 0.68 MAPK1 (0.46) MAP4K1IL2MAPK1CLK1DYRK1A

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

“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.