SCHEMBL2302770

SCHEMBL2302770

Cc1ccc(N)cc1N1CCC2(CC1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.50
MAPT P10636 9/20 0.44
ALDH1A1 P00352 7/20 0.44
GAA P10253 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
NR4A1 P22736 1/20 0.44
PTK2B Q14289 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
CASP1 P29466 1/20 0.44
RAD52 P43351 1/20 0.39
GFER P55789 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38

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 0.88 MAPT (0.59) LGMNMAPTALDH1A1GAAMEN1
SCHEMBL10127901 0.88 MAPT (0.59) LGMNMAPTALDH1A1GAAMEN1
SCHEMBL10156824 0.81 ALDH1A1 (0.48) LGMNMAPTALDH1A1GAAKMT2A
SCHEMBL854657 0.80 MAPT (0.64) LGMNMAPTALDH1A1GAAMEN1
SCHEMBL31312874 0.80 MAPT (0.64) LGMNMAPTALDH1A1GAAMEN1
SCHEMBL923404 0.79 MAPT (0.62) LGMNMAPTALDH1A1GAAMEN1
SCHEMBL855383 0.79 ALDH1A1 (0.54) LGMNMAPTALDH1A1GAAMEN1
SCHEMBL31312959 0.79 ALDH1A1 (0.54) LGMNMAPTALDH1A1GAAMEN1
SCHEMBL16305337 0.78 LGMN (0.47) LGMNMAPTALDH1A1GAAMEN1
SCHEMBL14117670 0.78 ADRB1 (0.51) LGMNMAPTALDH1A1MEN1KMT2A

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 21 patents — showing the first 20. 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-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
US-8962637-B2 Bicyclic compounds and their uses as dual c-SRC/JAK inhibitors DEBIOPHARM S.A. (CH) 2015-02-24 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2536722-B1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM SA (CH) 2014-04-16 EP disclosed
EP-2536722-B1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM SA (CH) 2014-04-16 EP disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2013-06-06 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-8440679-B2 Bicyclic compounds and their uses as dual c-SRC / JAK inhibitors DEBIOPHARM S.A. (CH) 2013-05-14 US disclosed
US-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LTD. (IN) 2013-01-10 US disclosed
US-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LTD. (IN) 2013-01-10 US disclosed
US-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LTD. (IN) 2013-01-10 US disclosed
EP-2536722-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS Debiopharm S.A. (CH) 2012-12-26 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
WO-2011101806-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2011-08-25 WO disclosed
WO-2011101806-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS DEBIOPHARM S.A. (CH) 2011-08-25 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 (4 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-20130012518-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS JAK2, SRC, JAK1 LGMN 4817/4885MAPT 3936/4885ALDH1A1 3455/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 LGMN 3983/4885MAPT 3116/4885ALDH1A1 1554/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 LGMN 3983/4885MAPT 3116/4885ALDH1A1 1554/4885
US-20130143895-A1 BICYCLIC COMPOUNDS AND THEIR USES AS DUAL C-SRC / JAK INHIBITORS JAK2, SRC, JAK1 LGMN 4817/4885MAPT 3936/4885ALDH1A1 3455/4885

“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.