SCHEMBL25875936

SCHEMBL25875936

CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc([C@@H]3C[C@H]3C(=O)Nc3ccc4cccc(Cl)c4c3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
STS P08842 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
TGFBR1 P36897 4/20 0.41
MAPK14 Q16539 4/20 0.41
IKBKB O14920 2/20 0.40
JAK2 O60674 2/20 0.40
ROCK2 O75116 2/20 0.40
JAK3 P52333 2/20 0.40
IL1B P01584 1/20 0.40
P2RX7 Q99572 1/20 0.40

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
SCHEMBL26455775 0.83 JAK2 (0.56) KDM4EPKMFPR3FPR2IKBKB
SCHEMBL25875931 0.83 JAK2 (0.49) MAPK14IKBKBJAK2ROCK2JAK3
SCHEMBL26455780 0.79 JAK2 (0.52) KDM4EPKMIKBKBJAK2ROCK2
SCHEMBL25875964 0.78 JAK2 (0.50) MAPK14IKBKBJAK2ROCK2JAK3
SCHEMBL26455757 0.75 JAK2 (0.51) IKBKBJAK2ROCK2JAK3JAK1
SCHEMBL22751981 0.75 JAK2 (0.51) IKBKBJAK2ROCK2JAK3JAK1
SCHEMBL22857500 0.75 JAK2 (0.51) IKBKBJAK2ROCK2JAK3JAK1
SCHEMBL25875932 0.75 ROCK2 (0.62) IKBKBJAK2ROCK2JAK3JAK1
SCHEMBL10144835 0.74 KDM4E (0.76) KDM4EPKMTGFBR1KMT2A
SCHEMBL20615733 0.73 KDM4E (0.79) KDM4EPKMSTSLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-07-20 US 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-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, CHUK, MAP3K2 KDM4E 1977/4885PKM 1673/4885FPR3 2855/4885

“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.