SCHEMBL10127901

SCHEMBL10127901

Cc1cc(N)ccc1N1CCC2(CC1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
ALDH1A1 P00352 7/20 0.59
GAA P10253 5/20 0.59
MEN1 O00255 2/20 0.59
THRB P10828 2/20 0.59
KMT2A Q03164 2/20 0.59
NR4A1 P22736 1/20 0.59
PTK2B Q14289 1/20 0.59
RAD52 P43351 2/20 0.52
GFER P55789 1/20 0.52
LGMN Q99538 1/20 0.50
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL31312869 1.00 MAPT (0.59) MAPTALDH1A1GAAMEN1THRB
SCHEMBL2302770 0.88 LGMN (0.50) MAPTALDH1A1GAAMEN1THRB
SCHEMBL854657 0.83 MAPT (0.64) MAPTALDH1A1GAAMEN1THRB
SCHEMBL31312874 0.83 MAPT (0.64) MAPTALDH1A1GAAMEN1THRB
SCHEMBL855383 0.82 ALDH1A1 (0.54) MAPTALDH1A1GAAMEN1THRB
SCHEMBL31312959 0.82 ALDH1A1 (0.54) MAPTALDH1A1GAAMEN1THRB
SCHEMBL16305337 0.81 LGMN (0.47) MAPTALDH1A1GAAMEN1THRB
SCHEMBL17689752 0.80 ALDH1A1 (0.57) MAPTALDH1A1GAAMEN1THRB
SCHEMBL15358737 0.80 MAPT (0.81) MAPTALDH1A1GAAMEN1THRB
SCHEMBL10126783 0.80 MAPT (0.65) MAPTALDH1A1GAAMEN1THRB

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
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US 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
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US 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 MAPT 3116/4885ALDH1A1 1554/4885GAA 3821/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MAPT 3116/4885ALDH1A1 1554/4885GAA 3821/4885

“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.