SCHEMBL21490329

SCHEMBL21490329

COC(=O)c1cc2c(F)cc(OC)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.53
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EIF4A3 P38919 1/20 0.46
FLT3 P36888 1/20 0.45
XDH P47989 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALB P02768 1/20 0.41
IL2 P60568 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
SCHEMBL30995200 0.86 ALDH1A1 (0.56) KDM4EMAPTALDH1A1ALOX15HSD17B10
SCHEMBL28594030 0.86 ULK1 (0.74) ULK1KDM4EMAPTALDH1A1ALOX15
SCHEMBL29897794 0.84 ULK1 (0.49) ULK1KDM4EALDH1A1HSD17B10GAA
SCHEMBL4276853 0.84 ULK1 (0.49) ULK1KDM4EALDH1A1HSD17B10GAA
SCHEMBL23709921 0.84 XDH (0.60) ULK1KDM4EMAPTEIF4A3FLT3
SCHEMBL5777627 0.83 ULK1 (0.55) ULK1KDM4EMAPTALDH1A1ALOX15
SCHEMBL6223883 0.83 ULK1 (0.66) ULK1KDM4EMAPTALDH1A1ALOX15
SCHEMBL30310315 0.82 GRIN1 (0.50) ULK1KDM4EHPGDEIF4A3KMT2A
SCHEMBL24020651 0.82 GRIN1 (0.50) ULK1KDM4EHPGDEIF4A3KMT2A
SCHEMBL19331121 0.82 ULK1 (0.53) ULK1KDM4EMAPTALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689639-B Spirolactams as ROCK inhibitors 百时美施贵宝公司 2022-02-18 CN disclosed
EP-3481817-B1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
EP-3481817-B1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-10696674-B2 Spirolactams as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
US-10696674-B2 Spirolactams as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-10-24 US disclosed
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-10-24 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 (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-10696674-B2 Spirolactams as inhibitors of ROCK MYLK, ROCK1, MYLK2 ULK1 2504/4885KDM4E 2196/4885MAPT 114/4885
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, MYLK2 ULK1 2504/4885KDM4E 2196/4885MAPT 114/4885

“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.