SCHEMBL6715101

SCHEMBL6715101

COc1cccc2cc(B(O)O)sc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
MGLL Q99685 1/20 0.49
ENPP2 Q13822 2/20 0.44
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 1/20 0.39
CHRNA7 P36544 2/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL20981799 0.79 CA2 (0.50) CA2ENPP2LMNARECQLCYP3A4
SCHEMBL16016897 0.79 MGLL (0.52) MGLLALDH1A1CHRNA7
SCHEMBL15018285 0.78 TUBB4A (0.39) CA2MGLLCYP3A4ALDH1A1MAPK1
SCHEMBL15023901 0.78 FGFR1 (0.42) MGLL
SCHEMBL22132828 0.77 ERN1 (0.38) MGLLENPP2ALDH1A1KDM4EHPGD
SCHEMBL30638470 0.77 MGLL (0.53) CA2MGLLALDH1A1KMT2A
SCHEMBL28660108 0.77 MGLL (0.53) CA2MGLLALDH1A1KMT2A
SCHEMBL594128 0.75 MGLL (0.52) MGLLCHRNA7
SCHEMBL16010451 0.75 CYP3A4 (0.37) MGLLLMNACYP3A4ALDH1A1KDM4E
SCHEMBL29957801 0.75 HDAC3 (0.54) CA2MGLLENPP2CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549010-B Preparation and application of compound with AMPK (AMPK) agonistic activity and prodrug thereof 中国科学院上海药物研究所 2023-10-20 CN disclosed
EP-3670513-B1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2023-09-20 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220153745-A1 DISUBSTITUTED BENZOTHIENYL-PYRROLOTRIAZINES AND THEIR USE AS FGFR KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-05-19 US disclosed
US-11236094-B2 Substituted pyrrolo[2,1-f][1,2,4]triazines as FGFR inhibitors CSPC ZHONGQI PHARMACEUTICALL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-02-01 US disclosed
CN-113549010-A Preparation and application of compound with AMPK agonistic activity and prodrug thereof 中国科学院上海药物研究所 2021-10-26 CN disclosed
US-20200207773-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-07-02 US disclosed
EP-3670513-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2020-06-24 EP disclosed
EP-3486244-A1 NEW COMPOUND HAVING FGFR INHIBITORY ACTIVITY AND PREPARATION AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-05-22 EP disclosed
EP-3486244-A1 NEW COMPOUND HAVING FGFR INHIBITORY ACTIVITY AND PREPARATION AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-05-22 EP disclosed
WO-2013087578-A1 DISUBSTITUTED BENZOTHIENYL-PYRROLOTRIAZINES AND THEIR USE AS FGFR KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-20 WO disclosed
WO-2013087647-A1 SUBSTITUTED BENZOTHIENYL - PYRROLOTRIAZINES AND USES THEREOF IN THE TREATMENT CANCER BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 WO disclosed
US-20130158000-A1 Disubstituted benzothienyl-pyrrolotriazines and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20040030131-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-02-12 US disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 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 (5 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-20220153745-A1 DISUBSTITUTED BENZOTHIENYL-PYRROLOTRIAZINES AND THEIR USE AS FGFR KINASE INHIBITORS NR5A2, FGFR1, FGFR3 CA2 2759/4885MGLL 4861/4885ENPP2 4671/4885
US-11236094-B2 Substituted pyrrolo[2,1-f][1,2,4]triazines as FGFR inhibitors FGFR1, FGFR2, FGFR4 CA2 1206/4885MGLL 4539/4885ENPP2 4751/4885
US-20130158000-A1 Disubstituted benzothienyl-pyrrolotriazines and uses thereof STK25, CDK5, JAK2 CA2 3661/4885MGLL 4774/4885ENPP2 1923/4885
US-20200207773-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF FGFR1, FGFR2, FGFR3 CA2 1324/4885MGLL 2838/4885ENPP2 4250/4885
US-20040030131-A1 Pharmaceutical compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PYM1, CHRM1 CA2 1695/4885MGLL 3823/4885ENPP2 4005/4885

“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.