SCHEMBL2376462

SCHEMBL2376462

CCN1CCN(c2cccc(CN)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.59
GAA P10253 2/20 0.53
RAD52 P43351 2/20 0.53
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AGXT P21549 2/20 0.50
KHK P50053 2/20 0.48
DRD2 P14416 5/20 0.48
DRD3 P35462 1/20 0.47
PRMT6 Q96LA8 2/20 0.46
KCNH2 Q12809 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL27662780 0.88 AGXT (0.56) MAPTSMN1; SMN2AGXTDRD2DRD3
SCHEMBL109344 0.83 AGXT (0.69) GAARAD52KDM4EMAPTGFER
SCHEMBL2377738 0.83 GAA (0.68) CHRNA7GAARAD52KDM4EMAPT
SCHEMBL6263381 0.83 DRD4 (0.70) KDM4EMAPTSMN1; SMN2DRD2DRD3
SCHEMBL30647354 0.81 GAA (0.66) CHRNA7GAARAD52KDM4EMAPT
SCHEMBL1126080 0.81 GAA (0.66) CHRNA7GAARAD52KDM4EMAPT
SCHEMBL4577574 0.81 CHRNA7 (0.56) CHRNA7GAARAD52KDM4EMAPT
SCHEMBL8352129 0.81 CHRNA7 (0.56) CHRNA7GAARAD52KDM4EMAPT
SCHEMBL4577571 0.81 CHRNA7 (0.56) CHRNA7GAARAD52KDM4EMAPT
SCHEMBL109316 0.81 AGXT (0.67) GAARAD52KDM4EMAPTAGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 CHRNA7 4804/4885GAA 2827/4885RAD52 2095/4885

“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.