SCHEMBL2387995

SCHEMBL2387995

Nc1ccc(C2COCC(=O)N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.41
DDB1 Q16531 4/20 0.39
CRBN Q96SW2 4/20 0.39
DGAT1 O75907 1/20 0.33
TDP2 O95551 1/20 0.31
GSK3B P49841 1/20 0.30
BACE1 P56817 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL2387992 1.00 CYP19A1 (0.41) CYP19A1DDB1CRBNDGAT1TDP2
SCHEMBL3652436 0.84 SMN1; SMN2 (0.41) DGAT1TAAR1
SCHEMBL19390846 0.83 ALDH1A1 (0.39) TAAR1
SCHEMBL1464332 0.83 TDP1 (0.42) CYP19A1GSK3BBACE1
SCHEMBL14830081 0.83 ALDH1A1 (0.39) TAAR1
SCHEMBL1463116 0.83 TDP1 (0.42) CYP19A1GSK3BBACE1
SCHEMBL1273854 0.82 ALDH1A1 (0.39) DDB1CRBNBACE1
SCHEMBL3398180 0.82 ALDH1A1 (0.39) DDB1CRBNBACE1
SCHEMBL2387285 0.78 LMNA (0.44) CRBN
SCHEMBL7225598 0.76 ABCC9 (0.37) DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 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 (3 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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 CYP19A1 4306/4885DDB1 1825/4885CRBN 3683/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 CYP19A1 3117/4885DDB1 2003/4885CRBN 4451/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 CYP19A1 4306/4885DDB1 1825/4885CRBN 3683/4885

“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.