SCHEMBL328239

SCHEMBL328239

Cc1ccc(N)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
RAD52 P43351 1/20 0.47
GAA P10253 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALOX12 P18054 1/20 0.45
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
EML4 Q9HC35 5/20 0.42
ALK Q9UM73 5/20 0.42
PTK2B Q14289 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
NR4A1 P22736 1/20 0.42
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
SLC18A3 Q16572 1/20 0.40
ADRA2C P18825 2/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL10035939 0.89 MAPT (0.56) MAPTKDM4ERAD52GAAALDH1A1
SCHEMBL24773694 0.85 SMN1; SMN2 (0.60) MAPTKDM4EGAASMN1; SMN2ALOX12
SCHEMBL429632 0.85 MAPT (0.62) MAPTKDM4ERAD52GAASMN1; SMN2
SCHEMBL17689751 0.84 ADRB1 (0.43) MAPTKDM4ERAD52GAASMN1; SMN2
SCHEMBL28313862 0.84 ALDH1A1 (0.51) MAPTKDM4ERAD52GAAALDH1A1
SCHEMBL328198 0.83 ALDH1A1 (0.56) MAPTKDM4ERAD52GAASMN1; SMN2
SCHEMBL10036441 0.83 MAPT (0.70) MAPTKDM4ERAD52GAASMN1; SMN2
SCHEMBL10155726 0.82 KDM4E (0.46) MAPTKDM4ERAD52ALDH1A1HTT
SCHEMBL10036378 0.82 ALDH1A1 (0.50) MAPTKDM4ERAD52ALDH1A1HTT
SCHEMBL10036440 0.82 MAPT (0.52) MAPTKDM4ERAD52GAASMN1; SMN2

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 10 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
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US 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
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
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 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 (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 MAPT 3116/4885KDM4E 39/4885RAD52 4632/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPT 3116/4885KDM4E 39/4885RAD52 4632/4885

“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.