SCHEMBL1401548

SCHEMBL1401548

COC(=O)c1cc(CO)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.47
MAPT P10636 4/20 0.47
DAO P14920 2/20 0.42
CTPS1 P17812 1/20 0.40
HPGD P15428 6/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CYP4A11 Q02928 2/20 0.37
CYP4F2 P78329 1/20 0.37
OPRD1 P41143 1/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 3/20 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
SCHEMBL8180294 0.87 NPSR1 (0.48) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL9850003 0.86 CYP4A11 (0.49) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL1401554 0.84 NPSR1 (0.46) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL127894 0.84 NPSR1 (0.46) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL5879739 0.84 LOXL2 (0.49) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL9849635 0.83 CYP4A11 (0.53) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL8007529 0.82 MAPT (0.44) NPSR1MAPTHPGDHTTCA12
SCHEMBL8226496 0.82 DAO (0.47) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL8226533 0.82 NPSR1 (0.49) NPSR1MAPTDAOCTPS1HPGD
SCHEMBL1604772 0.82 CYP4A11 (0.54) NPSR1MAPTDAOCTPS1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 EP disclosed
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 US disclosed
CN-100393698-C Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO LTD (KR) 2008-06-11 CN disclosed
CN-101080396-A Quinoxalines as B Raf inhibitors ASTRAZENECA AB (SE) 2007-11-28 CN disclosed
CN-101048388-A Quinazolinone derivatives and their use as B-Raf inhibitors ASTRAZENECA AB (SE) 2007-10-03 CN disclosed
EP-1828147-A1 QUINOXALINES AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
EP-1789399-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-05-30 EP disclosed
EP-1646608-A4 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2006-11-22 EP disclosed
CN-1826316-A Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO LTD (KR) 2006-08-30 CN disclosed
WO-2006040568-A1 QUINOXALINES AS B RAF INHIBITORS ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-1646608-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL Pharmaceutical Co., Ltd. (KR) 2006-04-19 EP disclosed
WO-2006024834-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed
WO-2004113281-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO., LTD. (KR) 2004-12-29 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 (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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF NPSR1 4483/4885MAPT 4337/4885DAO 2608/4885
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them VEGFA, TUBB3, TUBA3C NPSR1 3896/4885MAPT 62/4885DAO 4610/4885
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF NPSR1 4867/4885MAPT 4559/4885DAO 1959/4885

“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.