SCHEMBL2437580

SCHEMBL2437580

CCN(CCN(C)C)c1ccc(N)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
CYP3A4 P08684 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
TSHR P16473 3/20 0.69
MAPK1 P28482 2/20 0.69
PSMD14 O00487 1/20 0.69
RECQL P46063 1/20 0.69
GFER P55789 1/20 0.69
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
S100B P04271 1/20 0.40
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
ESRRG P62508 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL29740663 0.92 ALDH1A1 (0.82) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
SCHEMBL4717774 0.90 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
SCHEMBL14596279 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
SCHEMBL7520164 0.83 ALDH1A1 (0.75) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
SCHEMBL33781 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
SCHEMBL8467252 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
SCHEMBL6389743 0.82 ALDH1A1 (0.72) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
SCHEMBL19496234 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL970321 0.81 ALDH1A1 (0.95) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL970320 0.81 ALDH1A1 (0.95) ALDH1A1CYP3A4TDP1L3MBTL1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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 (1 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 ALDH1A1 1337/4885CYP3A4 3598/4885TDP1 606/4885

“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.