SCHEMBL8531

SCHEMBL8531

CC(C)(O)C(C)(C)OB(O)c1ccc2cn[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.40
MAPT P10636 7/20 0.40
KDM4E B2RXH2 6/20 0.40
NOS1 P29475 3/20 0.40
DYRK1A Q13627 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
FGFR1 P11362 6/20 0.39
FGFR2 P21802 3/20 0.39
FGFR3 P22607 2/20 0.39
ALDH1A1 P00352 7/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL8835 0.89 ROCK1 (0.41) METAP2MAPTKDM4ENOS1DYRK1A
SCHEMBL14720450 0.78 ENPP2 (0.55) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL15778365 0.77 PIK3C3 (0.33)
SCHEMBL8533 0.75 ADORA2A (0.33)
SCHEMBL2241556 0.74 NOS1 (0.53) METAP2MAPTKDM4ENOS1DYRK1A
SCHEMBL517925 0.74 CA1 (0.50) KDM4EALDH1A1CYP1A2F2TDP1
Hydrochloric Acid SCHEMBL29952394 0.73 NOS1 (0.52) METAP2MAPTKDM4ENOS1DYRK1A
SCHEMBL1128777 0.73 ESR1 (0.36) MEN1KMT2AHTTALDH1A1CYP3A4
SCHEMBL2191461 0.72 GAA (0.35) MAPTKDM4EMEN1KMT2APKM
SCHEMBL8622 0.72 ENPP2 (0.41) MAPTCYP3A4CYP1A2CYP2C19F2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025056068-A1 BICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海济煜医药科技有限公司 2025-03-20 WO disclosed
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 US disclosed
CN-118894816-A 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-11-05 CN disclosed
US-20240360095-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2024-10-31 US disclosed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 CN disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 US disclosed
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2023-02-09 US disclosed
CN-113045582-B PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2022-12-23 CN disclosed
CN-114929342-A Pyrazolyl derivatives as anticancer agents 诺华股份有限公司 2022-08-19 CN disclosed
US-9018375-B2 Substituted chromenes as kinase modulators RHIZEN PHARMACEUTICALS SA (CH) 2015-04-28 US disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20140080827-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2014-03-20 US disclosed
US-8642607-B2 4H-chromen-4-one compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2014-02-04 US disclosed
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2013-09-26 US disclosed
EP-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP disclosed
US-20120059001-A1 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2012-03-08 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110118257-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2011-05-19 US disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 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 (10 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-20240360095-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB METAP2 3419/4885MAPT 2989/4885KDM4E 2418/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 METAP2 1027/4885MAPT 2179/4885KDM4E 3128/4885
US-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 METAP2 4761/4885MAPT 3565/4885KDM4E 167/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 METAP2 1027/4885MAPT 2179/4885KDM4E 3128/4885
US-20140080827-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB METAP2 3419/4885MAPT 2989/4885KDM4E 2418/4885
US-20110118257-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB METAP2 3419/4885MAPT 2989/4885KDM4E 2418/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 METAP2 1027/4885MAPT 2179/4885KDM4E 3128/4885
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B METAP2 4036/4885MAPT 4844/4885KDM4E 555/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A METAP2 4092/4885MAPT 3674/4885KDM4E 3690/4885
US-20120059001-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB METAP2 3419/4885MAPT 2989/4885KDM4E 2418/4885

“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.