SCHEMBL8081004

SCHEMBL8081004

Cc1nc2sccn2c1C

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.63
CYP1A2 P05177 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPK1 P28482 3/20 0.51
ALOX15 P16050 1/20 0.45
KDR P35968 1/20 0.43
PKM P14618 1/20 0.42
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21760698 0.79 ALOX12 (0.59) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL21894538 0.79 ALOX12 (0.59) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL12022868 0.79 ALOX12 (0.50) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL13255816 0.76 ALOX12 (0.56) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL13990817 0.76 ALOX12 (0.56) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL10994685 0.76 CYP1A2 (0.70) ALOX12CYP1A2TDP1MAPK1PKM
SCHEMBL21893409 0.76 ALOX12 (0.56) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL1339860 0.76 CYP1A2 (0.47) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL9607546 0.76 ALOX12 (0.56) ALOX12CYP1A2TDP1MAPK1ALOX15
SCHEMBL21893779 0.75 ALOX12 (0.54) ALOX12CYP1A2TDP1MAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191484-B1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2024-06-12 EP disclosed
WO-2023275336-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
US-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 US disclosed
WO-2022133588-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-06-30 WO disclosed
US-11351178-B2 Selective HDAC6 inhibitors ITALFARMACO SPA (IT) 2022-06-07 US disclosed
WO-2020232255-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-11-19 WO disclosed
US-10138242-B2 Pyrazolopyridine derivatives and their use in therapy HELMHOLTZ ZENTRUM MUENCHEN—DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT GMBH (DE) 2018-11-27 US disclosed
US-20180186789-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2018-07-05 US disclosed
US-9840504-B2 Pyrazolopyridine derivatives and their use in therapy HELMHOLTZ ZENTRUM MUENCHEN—DEUTSCHES FORSCHUNGZENTRUM FUER GESUNDHEIT UN (DE) 2017-12-12 US disclosed
US-20170247375-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUNCHEN - DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-08-31 US disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
WO-2008139416-A1 2-CYCLOPROPYL-THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-11-20 WO disclosed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 WO disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed
WO-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 WO disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 WO disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 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 (7 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALOX12 1643/4885CYP1A2 980/4885TDP1 4779/4885
US-20220204476-A1 RNA VIRUS INHIBITOR COMPOUNDS AND USES THEREOF SARS1, NSUN3, GTF3C4 ALOX12 1535/4885CYP1A2 4138/4885TDP1 1718/4885
US-20170247375-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY TPP1, PRDX5, TPMT ALOX12 3981/4885CYP1A2 390/4885TDP1 239/4885
US-20180186789-A1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY TPP1, PRDX5, TPMT ALOX12 3981/4885CYP1A2 390/4885TDP1 239/4885
US-10138242-B2 Pyrazolopyridine derivatives and their use in therapy TPP1, PRDX5, TPMT ALOX12 3981/4885CYP1A2 390/4885TDP1 239/4885
US-11351178-B2 Selective HDAC6 inhibitors HDAC6, HDAC1, HDAC3 ALOX12 4491/4885CYP1A2 801/4885TDP1 1612/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 ALOX12 4063/4885CYP1A2 4043/4885TDP1 1059/4885

“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.