SCHEMBL10129481

SCHEMBL10129481

CC(C)c1nc(O)nc(-c2ccc(F)cc2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.48
ADORA2A P29274 4/20 0.48
ADORA2B P29275 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GCGR P47871 3/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM1A O60341 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ERBB2 P04626 1/20 0.39
IL4 P05112 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL14315854 0.84 KDM1A (0.47) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL17948458 0.83 ADORA1 (0.46) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL27984907 0.82 KMT2A (0.51) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL30701856 0.81 GCGR (0.51) GCGR
SCHEMBL29185525 0.81 GCGR (0.51) GCGR
SCHEMBL14315362 0.81 ADORA1 (0.44) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL13118740 0.80 GCGR (0.51) GCGR
SCHEMBL27984538 0.80 ADORA1 (0.43) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL2340258 0.79 GCGR (0.43) GCGR
SCHEMBL8208256 0.79 GCGR (0.43) GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135859-B Green synthesis method of rosuvastatin calcium intermediate 安徽省庆云医药股份有限公司 2022-08-26 CN claimed
CN-113135859-A Green synthesis method of rosuvastatin calcium intermediate 安徽省庆云医药股份有限公司 2021-07-20 CN claimed
EP-3247703-B1 IMPROVED PROCESS FOR PREPARING STATIN PRECURSOR CENTRIENT PHARMACEUTICALS NETHERLANDS B V (NL) 2024-10-16 EP disclosed
CN-118063392-A Improved process for preparing statin precursors 灿盛制药有限公司荷兰公司 2024-05-24 CN disclosed
CN-113135859-B Green synthesis method of rosuvastatin calcium intermediate 安徽省庆云医药股份有限公司 2022-08-26 CN disclosed
CN-113135859-A Green synthesis method of rosuvastatin calcium intermediate 安徽省庆云医药股份有限公司 2021-07-20 CN disclosed
CN-107428703-B Improved process for the preparation of statin precursors 灿盛制药有限公司荷兰公司 2021-01-12 CN disclosed
US-10246423-B2 Process for preparing statin precursor Centrient Pharmaceuticals Netherlands B.V. (NL) 2019-04-02 US disclosed
US-10246423-B2 Process for preparing statin precursor Centrient Pharmaceuticals Netherlands B.V. (NL) 2019-04-02 US disclosed
US-20180111906-A1 IMPROVED PROCESS FOR PREPARING A STATIN PRECURSOR DSM SINOCHEM PHARM NL BV (NL) 2018-04-26 US disclosed
US-20180111906-A1 IMPROVED PROCESS FOR PREPARING A STATIN PRECURSOR DSM SINOCHEM PHARM NL BV (NL) 2018-04-26 US disclosed
US-9085538-B2 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK PHARMACEUTICALS D.D. (SI) 2015-07-21 US disclosed
CN-104774183-A Preparation method of formoxyl rosuvastatin calcium intermediate HEFEI XINNUOHUA BIOTECHNOLOGY CO LTD 2015-07-15 CN disclosed
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-02-20 US disclosed
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-02-20 US disclosed
WO-2012172564-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM DR. REDDY'S LABORATORIES LIMITED (IN) 2012-12-20 WO disclosed
CN-101323597-B Preparation of 4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonyl amido) pyrimidine-5-formaldehyde ANHUI QINGYUN PHARMACEUTICAL AND CHEMICAL CO LTD 2012-09-05 CN disclosed
EP-2423195-A1 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK Pharmaceuticals d.d. (SI) 2012-02-29 EP disclosed
WO-2012013325-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-02-02 WO disclosed
CN-101323597-A Preparation of 4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonyl amido) pyrimidine-5-formaldehyde ANHUI QINGYUN PHARMACEUTICAL A (CN) 2008-12-17 CN 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-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, PCSK9, FAH ADORA1 2992/4885ADORA2A 3765/4885ADORA2B 3148/4885
US-20180111906-A1 IMPROVED PROCESS FOR PREPARING A STATIN PRECURSOR HMGCR, CYP11B1, OSBP ADORA1 4463/4885ADORA2A 4551/4885ADORA2B 3834/4885
US-10246423-B2 Process for preparing statin precursor HMGCR, STS, DHPS ADORA1 4407/4885ADORA2A 4674/4885ADORA2B 4371/4885

“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.