SCHEMBL4142773

SCHEMBL4142773

COc1cnc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 3/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
NQO2 P16083 4/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
ACHE P22303 1/20 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
SCHEMBL1054720 0.83 ALDH1A1 (0.46) UHRF1MAPTALDH1A1SLC6A2SLC6A4
SCHEMBL4128579 0.81 UHRF1 (0.43) UHRF1MAPTALDH1A1SLC6A2SLC6A4
SCHEMBL27485620 0.79 NNMT (0.52) MAPTALDH1A1PDGFRBPDGFRAP2RX3
SCHEMBL24501189 0.79 POLQ (0.45) UHRF1SLC6A2SLC6A4SLC6A3PDE10A
SCHEMBL25955725 0.79 UHRF1 (0.42) UHRF1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL21791789 0.77 DHFR (0.46) MAPTALDH1A1PDGFRBPDGFRAP2RX3
SCHEMBL4142771 0.77 ALDH1A1 (0.37) MAPTALDH1A1PDGFRBPDGFRAP2RX3
SCHEMBL22759822 0.77 NQO2 (0.41) MAPTALDH1A1PDGFRBPDGFRAP2RX3
SCHEMBL21241205 0.77 NOS3 (0.58) ALDH1A1PDGFRBPDGFRAP2RX3P2RX2
SCHEMBL19172557 0.77 UHRF1 (0.50) UHRF1MAPTALDH1A1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402892-A1 MK2 INHIBITORS AND USES THEREOF XINTHERA, INC. 2022-12-22 US disclosed
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-05-31 US disclosed
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed
WO-2022012409-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-20 WO disclosed
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 US disclosed
EP-3782987-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2021-02-24 EP disclosed
WO-2019201297-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR 南京明德新药研发有限公司 2019-10-24 WO disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US 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 (9 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 UHRF1 2620/4885MAPT 2629/4885ALDH1A1 1374/4885
US-20220402892-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, ENPP2, MAPKAPK2 UHRF1 3675/4885MAPT 2493/4885ALDH1A1 4363/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 UHRF1 2620/4885MAPT 2629/4885ALDH1A1 1374/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 UHRF1 2749/4885MAPT 4869/4885ALDH1A1 3789/4885
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor ROCK1, ROCK2, CIT UHRF1 3420/4885MAPT 737/4885ALDH1A1 2343/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 UHRF1 4868/4885MAPT 4093/4885ALDH1A1 461/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 UHRF1 2771/4885MAPT 2613/4885ALDH1A1 1255/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 UHRF1 2393/4885MAPT 4873/4885ALDH1A1 3409/4885
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT UHRF1 3420/4885MAPT 737/4885ALDH1A1 2343/4885

“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.