SCHEMBL5140766

SCHEMBL5140766

COC(=O)c1ccc(NCCN(C)C)nc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.55
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2C19 P33261 1/20 0.48
GABRA5 P31644 3/20 0.46
HCAR2 Q8TDS4 1/20 0.43
TDO2 P48775 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL30737636 1.00 HCAR3 (0.55) HCAR3MAPK1KDM4EL3MBTL1CYP2C19
SCHEMBL3465091 0.84 NNMT (0.58) HCAR3CYP2C19HRH3
SCHEMBL13043454 0.82 HCAR3 (0.57) HCAR3MAPK1KDM4EL3MBTL1GABRA5
SCHEMBL692654 0.80 HCAR3 (0.71) HCAR3MAPK1KDM4EL3MBTL1GABRA5
SCHEMBL11184789 0.79 HCAR3 (0.72) HCAR3MAPK1KDM4EL3MBTL1GABRA5
SCHEMBL64206 0.77 POLB (0.64) MAPK1KDM4EALDH1A1HRH3
SCHEMBL6642675 0.77 LMNA (0.56) HCAR3MAPK1KDM4EL3MBTL1GABRA5
SCHEMBL12541738 0.76 GABRA5 (0.54) HCAR3MAPK1KDM4EL3MBTL1GABRA5
SCHEMBL693630 0.76 HCAR3 (0.50) HCAR3MAPK1KDM4EL3MBTL1GABRA5
SCHEMBL24774175 0.75 MAPK1 (0.51) HCAR3MAPK1KDM4EL3MBTL1GABRA5

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
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-06-22 US disclosed
EP-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 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-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same KCNJ2, KCNN2, KCNH2 HCAR3 2636/4885MAPK1 2180/4885KDM4E 688/4885

“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.