SCHEMBL328326

SCHEMBL328326

CCCCOC(=O)Nc1ccc(OC)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.49
PDE4A P27815 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
ALDH1A1 P00352 3/20 0.47
STS P08842 1/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44
GPR35 Q9HC97 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
PTPN2 P17706 1/20 0.44

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
SCHEMBL10155772 0.93 PDE4A (0.47) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL10156800 0.84 NAMPT (0.60) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL17690622 0.83 RAB9A (0.48) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL328235 0.82 RAB9A (0.50) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL10157352 0.81 RAB9A (0.45) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL328248 0.81 RAB9A (0.48) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL21404006 0.80 MEN1 (0.63) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL10157334 0.78 RAB9A (0.50) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL282296 0.78 ALDH1A1 (0.48) PDE4BALDH1A1STSLMNAKMT2A
SCHEMBL17689750 0.76 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (2 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDE4B 819/4885PDE4A 1151/4885PDE4C 1202/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDE4B 819/4885PDE4A 1151/4885PDE4C 1202/4885

“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.