SCHEMBL1759083

SCHEMBL1759083

O=C(O)c1cc(Cl)c2cn[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
TDO2 P48775 2/20 0.45
IDO1 P14902 1/20 0.45
NOS1 P29475 1/20 0.44
HCAR2 Q8TDS4 1/20 0.42
METAP2 P50579 1/20 0.41
MAP2K4 P45985 1/20 0.40
GRIN1 Q05586 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TPMT P51580 2/20 0.39
MAOB P27338 5/20 0.39
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 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
SCHEMBL17277752 0.85 NOS1 (0.43) IDO1NOS1METAP2ALDH1A1MAOB
SCHEMBL12647460 0.81 NOS1 (0.40) TDO2IDO1NOS1MAOBAURKA
SCHEMBL12664045 0.81 NOS1 (0.40) IDO1NOS1METAP2MAOB
SCHEMBL13132270 0.81 TDO2 (0.50) TDO2NOS1MAP2K4TSHRMEN1
SCHEMBL3711029 0.79 PTPN6 (0.49) TTRTDO2IDO1NOS1HCAR2
SCHEMBL25977503 0.77 GABRA1 (0.39) TDO2IDO1NOS1MAOB
SCHEMBL23092917 0.77 TDO2 (0.43) TDO2IDO1HCAR2METAP2MAP2K4
SCHEMBL2671673 0.76 CA12 (0.50) TDO2IDO1METAP2TSHRKMT2A
SCHEMBL20610631 0.76 IDO1 (0.48) TDO2IDO1METAP2ALDH1A1
SCHEMBL14487466 0.74 METAP2 (0.56) TDO2IDO1NOS1METAP2GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US disclosed
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
EP-2676958-B1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-01 EP disclosed
US-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-8765748-B2 Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
EP-2676958-A1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors Pfizer Inc. (US) 2013-12-25 EP disclosed
EP-2499139-B1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2013-12-11 EP disclosed
US-8507681-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2013-08-13 US disclosed
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2013-01-31 US disclosed
EP-2499140-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
EP-2499139-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-09-06 US disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 US disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 US disclosed
EP-2235004-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLMONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER University Health Network (CA) 2010-10-06 EP disclosed
WO-2009079767-A9 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-10-01 WO disclosed
WO-2009079767-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-07-02 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 (6 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-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB TTR 2490/4885TDO2 3087/4885IDO1 3293/4885
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 TTR 2746/4885TDO2 301/4885IDO1 46/4885
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 TTR 4806/4885TDO2 1352/4885IDO1 567/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB TTR 2490/4885TDO2 3087/4885IDO1 3293/4885
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB TTR 2490/4885TDO2 3087/4885IDO1 3293/4885
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS ACACA, PC, ACACB TTR 2674/4885TDO2 3054/4885IDO1 3764/4885

“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.