SCHEMBL282852

SCHEMBL282852

Cc1c[c]ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FGFR3 P22607 1/20 0.37
EML4 Q9HC35 7/20 0.37
ALK Q9UM73 7/20 0.37
L3MBTL3 Q96JM7 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.36
VCP P55072 1/20 0.36
PIM1 P11309 1/20 0.36
RET P07949 4/20 0.36
ROS1 P08922 4/20 0.36
FLT3 P36888 4/20 0.36
EGFR P00533 2/20 0.35
ACVR1 Q04771 2/20 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
SCHEMBL606331 0.96 ALDH1A1 (0.41) GAAALOX12SMN1; SMN2FGFR3EML4
SCHEMBL188655 0.89 GAA (0.40) GAAALOX12SMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL1815582 0.87 SLC18A3 (0.40) GAAALOX12SMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL188362 0.86 ADRA2C (0.42) GAAL3MBTL1ALDH1A1EGFR
SCHEMBL283083 0.82 DRD2 (0.47) FGFR3ALDH1A1
SCHEMBL282115 0.81 ALDH1A1 (0.44) SMN1; SMN2FGFR3EML4ALKL3MBTL3
SCHEMBL283412 0.79 FGFR3 (0.44) GAAALOX12SMN1; SMN2FGFR3EML4
SCHEMBL15759136 0.78 MAPT (0.48) GAAALOX12SMN1; SMN2FGFR3EML4
SCHEMBL188544 0.76 SLC18A3 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL281977 0.76 L3MBTL3 (0.55) GAAL3MBTL3L3MBTL1ALDH1A1VCP

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
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B9 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
CN-102421761-B Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC 2014-06-18 CN disclosed
CN-102421761-A Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC 2012-04-18 CN 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 GAA 3821/4885ALOX12 4377/4885SMN1; SMN2 4467/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 GAA 3821/4885ALOX12 4377/4885SMN1; SMN2 4467/4885

“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.