SCHEMBL104990

SCHEMBL104990

O=c1ccc(Cl)nn1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.58
HPGD P15428 2/20 0.58
PTGS2 P35354 1/20 0.52
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
MET P08581 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
IDO1 P14902 1/20 0.45
F2 P00734 1/20 0.44

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
SCHEMBL2968713 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL13240856 0.84 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDPTGS2
SCHEMBL15941095 0.82 POLB (0.52) ALDH1A1KDM4EMAPTHPGDMET
SCHEMBL14074040 0.80 PTGS2 (0.62) ALDH1A1KDM4EMAPTHPGDPTGS2
SCHEMBL9472059 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDPTGS2
SCHEMBL6133942 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDPTGS2
SCHEMBL18745569 0.79 PDE4B (0.45) ALDH1A1KDM4EMAPTHPGDPTGS2
SCHEMBL11140135 0.79 POLB (0.74) ALDH1A1KDM4EMAPTHPGDPDE4A
SCHEMBL6376456 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDPTGS2
SCHEMBL2970930 0.78 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935253-B1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2018-08-01 EP disclosed
US-9861637-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-01-09 US disclosed
US-9861637-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-01-09 US disclosed
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-05-25 US disclosed
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-05-25 US disclosed
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-05-25 US disclosed
US-9598367-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-03-21 US disclosed
US-9598367-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-03-21 US disclosed
US-9598367-B2 Heterocyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-03-21 US disclosed
US-20160130228-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors ZENITH EPIGENETICS LTD. (CA) 2016-05-12 US disclosed
CN-101835755-A Novel kinase inhibitors HOFFMANN LA ROCHE 2010-09-15 CN disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
EP-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 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 (4 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-20160130228-A1 Novel Heterocyclic Compounds as Bromodomain Inhibitors BRD4, BRDT, BRD3 ALDH1A1 4346/4885KDM4E 385/4885MAPT 2581/4885
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRDT, BRD3 ALDH1A1 4346/4885KDM4E 385/4885MAPT 2581/4885
US-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN ALDH1A1 3990/4885KDM4E 1225/4885MAPT 3889/4885
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient PDE5A, PDE3A, PDE3B ALDH1A1 215/4885KDM4E 436/4885MAPT 3621/4885

“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.