SCHEMBL1369682

SCHEMBL1369682

Cc1nc2ccsc2c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
RAB9A P51151 3/20 0.62
MAPT P10636 3/20 0.50
SPR P35270 3/20 0.49
CDC7 O00311 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
PARP1 P09874 4/20 0.49
PDPK1 O15530 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
PDE5A O76074 1/20 0.46

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
SCHEMBL6420959 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTSPRPARP1
SCHEMBL20458007 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTSPRPARP1
SCHEMBL17893461 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTSPRPARP1
SCHEMBL5068159 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTSPRPARP1
SCHEMBL20458014 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTSPRPARP1
SCHEMBL13976074 0.77 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTSPRPARP1
SCHEMBL18701479 0.77 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMAPTSPRPARP1
SCHEMBL18689714 0.77 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMAPTSPRPARP1
SCHEMBL13947840 0.77 HTT (0.59) SMN1; SMN2RAB9AMAPTTNKS2ALDH1A1
SCHEMBL5396554 0.77 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AMAPTSPRPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 US disclosed
EP-3738434-A1 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2020-11-18 EP disclosed
US-9994586-B2 Monocyclic, thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of the same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-06-12 US disclosed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
EP-3141542-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2017-03-15 EP disclosed
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2017-02-23 US disclosed
EP-1838718-B1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER (US) 2011-06-15 EP disclosed
EP-1838718-B1 PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER (US) 2011-06-15 EP disclosed
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 US disclosed
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS ZHANG JUNHU 2010-09-02 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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 (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-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX SMN1; SMN2 1570/4885RAB9A 1077/4885MAPT 4082/4885
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 SMN1; SMN2 3506/4885RAB9A 1675/4885MAPT 3420/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 SMN1; SMN2 4356/4885RAB9A 3103/4885MAPT 4128/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR SMN1; SMN2 2655/4885RAB9A 4069/4885MAPT 3010/4885
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 SMN1; SMN2 3016/4885RAB9A 2806/4885MAPT 4636/4885
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO SMN1; SMN2 2117/4885RAB9A 2753/4885MAPT 3030/4885
US-20100222342-A1 PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 SMN1; SMN2 2847/4885RAB9A 1123/4885MAPT 1192/4885
US-20170050978-A1 Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same CYP4F3, TYMS, DPYD SMN1; SMN2 3459/4885RAB9A 2885/4885MAPT 3768/4885
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES TNKS, TANK, TBKBP1 SMN1; SMN2 2378/4885RAB9A 3741/4885MAPT 3282/4885

“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.