SCHEMBL2385068

SCHEMBL2385068

CN1CC(c2ccc(N)cc2)OCC1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
BRD4 O60885 5/20 0.37
MDM2 Q00987 1/20 0.37
SRD5A1 P18405 2/20 0.36
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL2293850 0.84 SRD5A1 (0.53) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2294131 0.84 SRD5A1 (0.53) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2293215 0.84 BRD4 (0.55) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2297395 0.84 CYP2D6 (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2296789 0.84 BRD4 (0.55) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2298212 0.84 CYP2D6 (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL25649058 0.83 CYP2D6 (0.55) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2295630 0.79 KMT2A (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2296672 0.79 KMT2A (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2293468 0.77 CYP3A4 (0.41) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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 4306/4885CYP3A4 2896/4885CYP2D6 476/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 CYP19A1 3117/4885CYP3A4 2801/4885CYP2D6 290/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 CYP19A1 4306/4885CYP3A4 2896/4885CYP2D6 476/4885

“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.