SCHEMBL22011144

SCHEMBL22011144

O=C(NCCc1ccccc1)c1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SNCA P37840 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
GSK3B P49841 2/20 0.44
TP53 P04637 3/20 0.44
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BACE1 P56817 1/20 0.42
KLKB1 P03952 1/20 0.42
MAP4K1 Q92918 1/20 0.42

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
SCHEMBL22011152 0.88 MAPK1 (0.47) MAPK1RAB9ASMN1; SMN2SNCAGSK3B
SCHEMBL22011141 0.85 MAPK1 (0.52) MAPK1SNCALMNAGSK3BTP53
SCHEMBL24179503 0.84 HIF1A (0.52) MAPK1GSK3BCLK1DYRK1AMAP4K1
SCHEMBL24179468 0.79 MAPK1 (0.37) MAPK1RAB9ANPC1SNCAGSK3B
SCHEMBL24179276 0.78 MAPK1 (0.40) MAPK1SNCAGSK3BTP53CLK1
SCHEMBL21961944 0.77 SNCA (0.51) MAPK1SNCAGSK3BCLK1DYRK1A
SCHEMBL21961959 0.77 MAPK1 (0.49) MAPK1SMN1; SMN2SNCAGSK3BCLK1
SCHEMBL21962009 0.76 CLK1 (0.54) MAPK1GSK3BCLK1DYRK1AKLKB1
SCHEMBL7702400 0.76 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL22011267 0.75 MAPK1 (0.49) MAPK1SMN1; SMN2SNCAGSK3BCLK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002294-A1 ERK INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-01-06 US 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 (1 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 11/4885RAB9A 1501/4885NPC1 3415/4885

“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.