SCHEMBL4533570

SCHEMBL4533570

CC(O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.53
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.40
SLC6A1 P30531 3/20 0.40
TK1 P04183 3/20 0.39
HRH4 Q9H3N8 1/20 0.39
TK2 O00142 6/20 0.38
DUT P33316 1/20 0.37
SLC6A11 P48066 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL6749203 1.00 KIF11 (0.53) KIF11CYP2C19CYP2C9ALOX15TSHR
SCHEMBL5899878 1.00 KIF11 (0.53) KIF11CYP2C19CYP2C9ALOX15TSHR
SCHEMBL5967855 0.89 SLC6A11 (0.49) KIF11CYP2C19CYP2C9ALOX15TSHR
SCHEMBL5604595 0.89 SLC6A11 (0.49) KIF11CYP2C19CYP2C9ALOX15TSHR
SCHEMBL5604514 0.89 SLC6A11 (0.49) KIF11CYP2C19CYP2C9ALOX15TSHR
SCHEMBL8972396 0.86 KIF11 (0.47) KIF11CYP2C19CYP2C9ALOX15TSHR
SCHEMBL27997026 0.85 KIF11 (0.57) KIF11CYP2C19CYP2C9ALOX15TSHR
SCHEMBL6839990 0.84 MEN1 (0.50) CYP2C19LMNA
SCHEMBL14923123 0.81 KIF11 (0.53) KIF11CYP2C19CYP2C9ALOX15TSHR
SCHEMBL20341349 0.81 LMNA (0.52) KIF11CYP2C19CYP2C9ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS SERVIER LAB (FR) 2024-07-25 US disclosed
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed
CN-111471056-B Macrocyclic immunomodulator 成都先导药物开发股份有限公司 2021-07-02 CN disclosed
CN-111471056-A Macrocyclic immunomodulator 成都先导药物开发股份有限公司 2020-07-31 CN disclosed
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966217-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
US-6989399-B2 Antiamyloid phenylsulfonamides: N-alkanol derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-24 US disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
US-20040097572-A1 Antiamyloid phenylsulfonamides: N-alkanol derivatives BRISTOL-MYERS SQUIBB COMPANY 2004-05-20 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 (3 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-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, PARK7, PINK1 KIF11 1526/4885CYP2C19 4041/4885CYP2C9 4265/4885
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT KIF11 4743/4885CYP2C19 117/4885CYP2C9 196/4885
US-20040097572-A1 Antiamyloid phenylsulfonamides: N-alkanol derivatives APP, PSEN1, PSEN2 KIF11 4680/4885CYP2C19 4569/4885CYP2C9 4637/4885

“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.