SCHEMBL3359679

SCHEMBL3359679

CCOC(=O)c1ccc2[nH]c(B(O)O)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
MMP13 P45452 3/20 0.56
MMP2 P08253 2/20 0.56
HCRTR1 O43613 2/20 0.53
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 1/20 0.48

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
SCHEMBL29955256 0.84 CREBBP (0.48) HRH3MMP13MMP2ALDH1A1KDM4E
SCHEMBL7920888 0.82 ALDH1A1 (0.68) HRH3MMP13MMP2HCRTR1ALDH1A1
SCHEMBL68923 0.81 HRH3 (0.84) HRH3MMP13MMP2HCRTR1ALDH1A1
SCHEMBL16938458 0.79 HRH3 (0.59) HRH3MMP13MMP2HCRTR1ALDH1A1
SCHEMBL29654185 0.79 HRH3 (0.59) HRH3MMP13MMP2HCRTR1ALDH1A1
SCHEMBL6518479 0.79 HRH3 (0.80) HRH3MMP13MMP2HCRTR1ALDH1A1
SCHEMBL28797830 0.78 HRH3 (0.58) HRH3MMP13MMP2HCRTR1ALDH1A1
SCHEMBL27768714 0.78 HRH3 (0.58) HRH3MMP13MMP2HCRTR1ALDH1A1
SCHEMBL27683606 0.78 HRH3 (0.58) HRH3MMP13MMP2HCRTR1ALDH1A1
SCHEMBL29654086 0.78 HRH3 (0.58) HRH3MMP13MMP2HCRTR1ALDH1A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-1891049-B1 METHOD FOR PRODUCING 2-(2-AMINO-PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI SA (FR) 2017-07-19 EP disclosed
EP-1891049-B1 METHOD FOR PRODUCING 2-(2-AMINO-PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI SA (FR) 2017-07-19 EP disclosed
EP-2226319-B1 Process for the preparation of 2-(2-aminopyrimidin-4-yl)-1H-indol-5-carbonic acid derivatives SANOFI SA (FR) 2016-03-16 EP disclosed
EP-2226319-B1 Process for the preparation of 2-(2-aminopyrimidin-4-yl)-1H-indol-5-carbonic acid derivatives SANOFI SA (FR) 2016-03-16 EP disclosed
US-20140005392-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI (FR) 2014-01-02 US disclosed
US-8546567-B2 Method for producing 2-(2-aminopyrimidin-4-yl)-1H-indole-5-carboxylic acid derivatives SANOFI (FR) 2013-10-01 US disclosed
US-8546567-B2 Method for producing 2-(2-aminopyrimidin-4-yl)-1H-indole-5-carboxylic acid derivatives SANOFI (FR) 2013-10-01 US disclosed
US-8546567-B2 Method for producing 2-(2-aminopyrimidin-4-yl)-1H-indole-5-carboxylic acid derivatives SANOFI (FR) 2013-10-01 US disclosed
US-20120271051-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI (FR) 2012-10-25 US disclosed
US-8232395-B2 ethyl 2-(2-chloropyrimidin-4-yl)-1H-indole-5-carboxylate; intermediates for preparing Ikb kinase inhibitors SANOFI (FR) 2012-07-31 US disclosed
US-8232395-B2 ethyl 2-(2-chloropyrimidin-4-yl)-1H-indole-5-carboxylate; intermediates for preparing Ikb kinase inhibitors SANOFI (FR) 2012-07-31 US disclosed
US-8232395-B2 ethyl 2-(2-chloropyrimidin-4-yl)-1H-indole-5-carboxylate; intermediates for preparing Ikb kinase inhibitors SANOFI (FR) 2012-07-31 US disclosed
EP-2226319-A1 Process for the preparation of 2-(2-Amino-pyrimidin-4-yl)-1H-indol-5-carbonic acid derivatives sanofi-aventis (FR) 2010-09-08 EP disclosed
EP-2226319-A1 Process for the preparation of 2-(2-Amino-pyrimidin-4-yl)-1H-indol-5-carbonic acid derivatives sanofi-aventis (FR) 2010-09-08 EP disclosed
US-20080214813-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI-AVENTIS (FR) 2008-09-04 US disclosed
US-20080214813-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI-AVENTIS (FR) 2008-09-04 US disclosed
US-20080214813-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI-AVENTIS (FR) 2008-09-04 US disclosed
EP-1891049-A1 METHOD FOR PRODUCING 2-(2-AMINO-PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES Sanofi-Aventis (FR) 2008-02-27 EP disclosed
WO-2006128585-A1 METHOD FOR PRODUCING 2-(2-AMINO-PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES SANOFI-AVENTIS (DE) 2006-12-07 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-20120271051-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES TPH2, IDO2, IDO1 HRH3 708/4885MMP13 3855/4885MMP2 4096/4885
US-20080214813-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES TPH2, IDO2, IDO1 HRH3 401/4885MMP13 3101/4885MMP2 3556/4885
US-20140005392-A1 METHOD FOR PRODUCING 2-(2-AMINOPYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLIC ACID DERIVATIVES TPH2, IDO2, IDO1 HRH3 708/4885MMP13 3855/4885MMP2 4096/4885

“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.