SCHEMBL2018640

SCHEMBL2018640

NC[C@]12CC3C[C@H](C1)C1(OCCO1)[C@@H](C3)C2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.56
GRIN3B O60391 4/20 0.56
GRIN1 Q05586 4/20 0.56
GRIN2A Q12879 4/20 0.56
GRIN2B Q13224 4/20 0.56
GRIN2C Q14957 4/20 0.56
GRIN3A Q8TCU5 4/20 0.56
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2018642 1.00 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12759006 1.00 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12759007 0.81 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3028193 0.81 ESR1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13556201 0.77 ALDH1A1 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12795925 0.74 LMNA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12758977 0.74 LMNA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12759005 0.74 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL176524 0.73 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7001522 0.73 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 EP disclosed
WO-2010024430-A1 2,4-DIAMINOPYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-03-04 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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 GRIN2D 1349/4885GRIN3B 2032/4885GRIN1 2101/4885

“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.