SCHEMBL2134591

SCHEMBL2134591

COC(=O)c1cc2c(C)cccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.58
PDGFRB P09619 1/20 0.55
KIT P10721 1/20 0.55
DAO P14920 1/20 0.51
DDO Q99489 1/20 0.51
NR4A2 P43354 3/20 0.50
KIF11 P52732 1/20 0.48
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
ULK1 O75385 1/20 0.46
XDH P47989 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2204439 0.87 NR4A2 (0.48) FLT3PDGFRBKITNR4A2KIF11
SCHEMBL701020 0.84 KDM4E (0.57) FLT3PDGFRBKITDAODDO
SCHEMBL915460 0.84 HRH4 (0.55) FLT3NR4A2KIF11CYP1A2GLA
SCHEMBL30310659 0.84 HRH4 (0.55) FLT3NR4A2KIF11CYP1A2GLA
SCHEMBL8655451 0.83 HRH4 (0.56) FLT3NR4A2KIF11CYP1A2GLA
SCHEMBL2323348 0.83 FLT3 (0.59) FLT3DAODDONR4A2KIF11
SCHEMBL2205092 0.83 HRH4 (0.56) FLT3NR4A2KIF11CYP1A2GLA
SCHEMBL217459 0.83 FLT3 (0.66) FLT3GLAGAAULK1KDM4E
SCHEMBL5568273 0.83 FLT3 (0.59) FLT3DAONR4A2KIF11CYP1A2
SCHEMBL29425071 0.81 FLT3 (0.58) FLT3PDGFRBKITDAODDO

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 35 patents — showing the first 20. 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
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP 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
EP-3481817-A1 SPIROLACTAMS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2019-05-15 EP disclosed
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
CN-1173867-A Indolyl neuropeptide Y receptor antagonists LILLY CO ELI (US) 1998-02-18 CN disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed
US-5563142-A INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE THE UPJOHN COMPANY (US) 1996-10-08 US disclosed
EP-0507861-B1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS UPJOHN CO (US) 1996-09-11 EP disclosed
US-5489593-A Anti-aids piperazines THE UPJOHN COMPANY (US) 1996-02-06 US disclosed
EP-0507861-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. UPJOHN CO (US) 1992-10-14 EP disclosed
WO-1991009849-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS THE UPJOHN COMPANY (US) 1991-07-11 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-10696674-B2 Spirolactams as inhibitors of ROCK MYLK, ROCK1, MYLK2 FLT3 3746/4885PDGFRB 661/4885KIT 4294/4885
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, MYLK2 FLT3 3746/4885PDGFRB 661/4885KIT 4294/4885

“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.