SCHEMBL2384740

SCHEMBL2384740

CC(C)(C)C(NC(=O)O)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
PDE2A O00408 10/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
SOAT1 P35610 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
OPRM1 P35372 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
SCHEMBL5238900 0.81 BACE1 (0.43) PDE2ALMNASMN1; SMN2ALDH1A1OPRM1
SCHEMBL2459503 0.80 CPN1 (0.45) LMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL185475 0.79 PPARG (0.42) PDE2ALMNASMN1; SMN2ALDH1A1HTT
SCHEMBL2454760 0.78 PDE2A (0.41) PDE2ALMNASMN1; SMN2HTT
SCHEMBL4943891 0.78 NPC1 (0.42) PDE2ALMNASMN1; SMN2ALDH1A1HTT
SCHEMBL3974809 0.77 ALDH1A1 (0.48) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL25386581 0.76 ALDH1A1 (0.49) CNR2LMNASMN1; SMN2ALDH1A1
SCHEMBL15514071 0.76 ALDH1A1 (0.49) CNR2LMNASMN1; SMN2ALDH1A1
SCHEMBL2589765 0.75 MAPK1 (0.38) PDE2A
SCHEMBL4170133 0.75 SOAT1 (0.41) CNR2LMNASMN1; SMN2ALDH1A1CNR1

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 6 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

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 CNR2 2470/4885PDE2A 177/4885LMNA 4695/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 CNR2 2800/4885PDE2A 271/4885LMNA 3872/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 CNR2 2470/4885PDE2A 177/4885LMNA 4695/4885

“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.