SCHEMBL2409453

SCHEMBL2409453

CCOC(=O)c1nc2ccccc2cc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.66
KMT2A Q03164 5/20 0.66
MAPK1 P28482 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.46
MEN1 O00255 4/20 0.46
PRNP P04156 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
GLP1R P43220 1/20 0.45
TARBP2 Q15633 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 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
SCHEMBL8582386 0.86 TSHR (0.55) KDM4EKMT2AMAPK1L3MBTL1CYP1A2
SCHEMBL30288437 0.86 KDM4E (0.51) KDM4EKMT2AMAPK1L3MBTL1CYP1A2
SCHEMBL8630313 0.86 KDM4E (0.51) KDM4EKMT2AMAPK1L3MBTL1CYP1A2
SCHEMBL1506709 0.85 KDM4E (0.49) KDM4EKMT2AMAPK1L3MBTL1CYP1A2
SCHEMBL5162666 0.85 KDM4E (0.49) KDM4EKMT2AMAPK1L3MBTL1CYP1A2
SCHEMBL1506611 0.85 ALDH1A1 (0.50) KDM4EKMT2AMAPK1L3MBTL1CYP1A2
SCHEMBL11090058 0.84 KDM4E (0.49) KDM4EKMT2AMAPK1L3MBTL1TSHR
SCHEMBL8905796 0.84 TDP1 (0.47) KDM4EKMT2AMAPK1L3MBTL1TSHR
SCHEMBL3098451 0.84 TSHR (0.49) KDM4EKMT2AMAPK1L3MBTL1CYP1A2
SCHEMBL28244436 0.83 KDM4E (0.48) KDM4EKMT2AMAPK1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4459409-A METHYL-QUINOLINECARBOXYLIC ACID, OXIDATION, NICKEL PEROXIDE AMERICAN CYANAMID COMPANY (US) 1984-07-10 US claimed
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
EP-2539342-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2013-01-02 EP disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US disclosed
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 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 (1 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-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE3B, PDE3A, PDE5A KDM4E 408/4885KMT2A 1357/4885MAPK1 286/4885

“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.