SCHEMBL174902

SCHEMBL174902

Cc1cc(N)n(C(=O)OC(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ENPP3 O14638 2/20 0.40
ALPL P05186 2/20 0.40
XIAP P98170 2/20 0.40
FAAH O00519 1/20 0.39
NR1H2 P55055 1/20 0.37
TSHR P16473 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
MAP2K4 P45985 1/20 0.35
SMPD3 Q9NY59 1/20 0.35

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
SCHEMBL14632793 0.83 TSHR (0.50) ALDH1A1ENPP3ALPLXIAPTSHR
SCHEMBL667656 0.82 KDM4E (0.40) FAAHNR1H2HSP90AA1HSP90AB1KMT2A
SCHEMBL25249092 0.82 HSP90AA1 (0.43) FAAHNR1H2HSP90AA1HSP90AB1MEN1
SCHEMBL23500483 0.82 FAAH (0.38) ALDH1A1FAAHNR1H2HSP90AA1HSP90AB1
SCHEMBL23500384 0.80 FAAH (0.39) FAAHNR1H2HSP90AA1HSP90AB1L3MBTL1
SCHEMBL4038261 0.78 NR1H2 (0.36) ALDH1A1FAAHNR1H2HSP90AA1HSP90AB1
SCHEMBL8023407 0.78 ALDH1A1 (0.40) ALDH1A1TSHRCYP1A2MAPK1MEN1
SCHEMBL1852996 0.78 KLK3 (0.44) ALDH1A1TSHRHSP90AA1HSP90AB1CYP2C19
SCHEMBL359804 0.78 FAAH (0.37) ALDH1A1ENPP3ALPLXIAPFAAH
SCHEMBL1001764 0.77 FAAH (0.35) ALDH1A1FAAHNR1H2HSP90AA1HSP90AB1

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
CN-116134022-B ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2025-03-18 CN disclosed
WO-2024131937-A1 COMPOUND SERVING AS EIF4E INHIBITOR AND USE THEREOF 南京圣和药业股份有限公司 2024-06-27 WO disclosed
CN-117684188-A Electrochemical synthesis method of 5-aminopyrazole thioether compound 阜阳师范大学 2024-03-12 CN disclosed
CN-115074760-B Electrochemical synthesis method of 5-aminopyrazole-4-thiocyanate compound 阜阳师范大学 2023-11-03 CN disclosed
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 US disclosed
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 US disclosed
WO-2023131234-A1 CRYSTALLINE FORMS OF AN ATR INHIBITOR SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-07-13 WO disclosed
CN-116134022-A ATR inhibitors and uses thereof 上海德琪医药科技有限公司 2023-05-16 CN disclosed
EP-4175948-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-05-10 EP disclosed
CN-115074760-A Electrochemical synthesis method of 5-aminopyrazole-4-thiocyanic acid ester compound 阜阳师范大学 2022-09-20 CN disclosed
EP-2663553-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORP (US) 2015-08-26 EP disclosed
EP-2885291-A1 VEGFR3 INHIBITORS Cancer Therapeutics Crc Pty Limited (AU) 2015-06-24 EP disclosed
WO-2014109414-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF 富士フイルム株式会社 (JP) 2014-07-17 WO disclosed
US-20140073620-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-13 US disclosed
WO-2014026243-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-02-20 WO disclosed
WO-2014026243-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-02-20 WO disclosed
EP-2663553-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-11-20 EP disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US disclosed
WO-2012030944-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20080269266-A1 NOVEL COMPOUNDS 747 ASTRAZENECA AB (SE) 2008-10-30 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 (4 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-20230339927-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 ALDH1A1 4462/4885ENPP3 1824/4885ALPL 3632/4885
US-20080269266-A1 NOVEL COMPOUNDS 747 UGT2B7, UGT1A7, CYP3A7 ALDH1A1 790/4885ENPP3 1770/4885ALPL 3951/4885
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS JAK3, JAK2, JAK1 ALDH1A1 4518/4885ENPP3 2413/4885ALPL 4656/4885
US-20140073620-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR ALDH1A1 2289/4885ENPP3 441/4885ALPL 4831/4885

“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.