SCHEMBL606331

SCHEMBL606331

Cc1c[c]ccc1N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL3 Q96JM7 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
EML4 Q9HC35 3/20 0.36
ALK Q9UM73 3/20 0.36
SLC18A3 Q16572 1/20 0.36
ELANE P08246 1/20 0.35
FGFR3 P22607 1/20 0.35
RET P07949 2/20 0.34
ROS1 P08922 2/20 0.34
FLT3 P36888 2/20 0.34
GRIN2B Q13224 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL282852 0.96 GAA (0.38) ALDH1A1GAASMN1; SMN2ALOX12L3MBTL3
SCHEMBL188655 0.91 GAA (0.40) GAASMN1; SMN2ALOX12L3MBTL3L3MBTL1
SCHEMBL1815582 0.88 SLC18A3 (0.40) ALDH1A1GAASMN1; SMN2ALOX12L3MBTL3
SCHEMBL188362 0.85 ADRA2C (0.42) ALDH1A1GAAL3MBTL1
SCHEMBL286304 0.79 SLC18A3 (0.56) ALDH1A1GAASMN1; SMN2ALOX12SLC18A3
SCHEMBL283083 0.78 DRD2 (0.47) ALDH1A1FGFR3
SCHEMBL27879361 0.77 L3MBTL3 (0.53) ALDH1A1GAAL3MBTL3L3MBTL1GRIN2B
SCHEMBL282115 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL3L3MBTL1EML4
SCHEMBL24124031 0.77 GAA (0.50) ALDH1A1GAASMN1; SMN2ALOX12SLC18A3
SCHEMBL188544 0.75 SLC18A3 (0.38) ALDH1A1SMN1; SMN2SLC18A3

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 9 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
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 ALDH1A1 1554/4885GAA 3821/4885SMN1; SMN2 4467/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885GAA 3821/4885SMN1; 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.