SCHEMBL1773227

SCHEMBL1773227

O=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
PKM P14618 1/20 0.40
CYP2A6 P11509 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ENPP1 P22413 1/20 0.40
MET P08581 1/20 0.40
METAP2 P50579 2/20 0.39
METAP1 P53582 2/20 0.39
SLC40A1 Q9NP59 2/20 0.39
G6PD P11413 1/20 0.39
NFKBIA P25963 1/20 0.39
AGTR1 P30556 1/20 0.39
GLO1 Q04760 1/20 0.39

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
SCHEMBL1778896 0.88 L3MBTL1 (0.55) CYP2C19ALDH1A1LMNAMAPTPTGDR2
SCHEMBL13596799 0.88 CYP2C19 (0.51) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL21295075 0.82 MET (0.40) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL29847060 0.82 MET (0.40) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL30337641 0.81 CYP2C19 (0.56) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL1772416 0.81 CYP2C19 (0.56) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL1773438 0.80 CYP2C19 (0.55) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL28497684 0.80 CYP2C19 (0.55) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL30559878 0.80 CYP2C19 (0.55) CYP2C19RECQLALDH1A1LMNAMAPT
SCHEMBL2590156 0.80 CYP2C19 (0.55) CYP2C19RECQLALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194770-B Peptidyl arginine deiminase inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-08-09 CN disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 EP disclosed
EP-3760628-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-01-06 EP disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 US disclosed
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2020-12-31 US disclosed
CN-110194770-A Peptide acyl arginine deiminase inhibitor and application thereof 南京药捷安康生物科技有限公司 2019-09-03 CN disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 WO disclosed
WO-2019161803-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2019-08-29 WO disclosed
US-10039755-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2018-08-07 US disclosed
US-10039755-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2018-08-07 US disclosed
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS Glaxo Group Limited a corporation 2015-06-25 US disclosed
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS Glaxo Group Limited a corporation 2015-06-25 US disclosed
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS Glaxo Group Limited a corporation 2015-06-25 US disclosed
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US disclosed
EP-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP disclosed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 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-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A CYP2C19 400/4885RECQL 2476/4885ALDH1A1 505/4885
US-10039755-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors PADI1, PADI4, PADI2 CYP2C19 478/4885RECQL 476/4885ALDH1A1 98/4885
US-20200407370-A1 PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF PADI4, PADI2, PADI1 CYP2C19 703/4885RECQL 898/4885ALDH1A1 2839/4885
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS PADI1, PADI4, PADI2 CYP2C19 439/4885RECQL 390/4885ALDH1A1 77/4885
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP2C19 2418/4885RECQL 2120/4885ALDH1A1 960/4885

“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.