SCHEMBL2410364

SCHEMBL2410364

CCOC(=O)c1nc2c(nc1C)CCCO2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
TARBP2 Q15633 5/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 2/20 0.37
PPARG P37231 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ACHE P22303 4/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PDCD4 Q53EL6 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2408933 0.94 KDM4E (0.41) KDM4ECYP1A2CYP2C9TARBP2ALDH1A1
SCHEMBL5880357 0.81 KDM4E (0.48) KDM4ECYP1A2CYP2C9ALDH1A1KMT2A
SCHEMBL8832961 0.76 KDM4E (0.51) KDM4ECYP1A2ALDH1A1KMT2APPARG
SCHEMBL2408056 0.76 ACHE (0.33) ACHE
SCHEMBL21572852 0.73 ALDH1A1 (0.56) KDM4ECYP1A2TARBP2ALDH1A1KMT2A
SCHEMBL8832470 0.71 KDM4E (0.46) KDM4EALDH1A1KMT2APPARGSMN1; SMN2
SCHEMBL2405426 0.70 ACHE (0.33) ACHE
Pyridine SCHEMBL8935592 0.70 KDM4E (0.45) KDM4ECYP1A2CYP2C9ALDH1A1KMT2A
SCHEMBL8991969 0.69 ALDH1A1 (0.53) KDM4ECYP1A2TARBP2ALDH1A1SMN1; SMN2
SCHEMBL6236293 0.69 CYP1A2 (0.39) KDM4ECYP1A2CYP2C9ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 408/4885CYP1A2 357/4885CYP2C9 91/4885

“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.