SCHEMBL2470822

SCHEMBL2470822

COc1ccc2[nH]nc(-c3cnc(Nc4cccc(S(=O)(=O)N5CCCC5)c4)nc3N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
ERBB2 P04626 3/20 0.45
PTK6 Q13882 3/20 0.45
TTK P33981 1/20 0.45
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
BMPR2 Q13873 1/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CG P48736 2/20 0.40
PIK3C2G O75747 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL2466543 0.88 MAPT (0.42) ALDH1A1MAPTKMT2ALMNAMEN1
Trifluoroacetic Acid SCHEMBL14633569 0.83 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL14633576 0.81 CCNT1 (0.45) ALDH1A1ERBB2PTK6KMT2AMEN1
SCHEMBL14634034 0.76 EPHB4 (0.49) LRRK2RIPK2
Trifluoroacetic Acid SCHEMBL14633975 0.76 ERBB2 (0.45) ALDH1A1MAPTERBB2PTK6KMT2A
SCHEMBL14633767 0.76 KDR (0.49) LRRK2RIPK2
SCHEMBL2467824 0.75 CDK9 (0.42) TTKLRRK2RIPK2
SCHEMBL2472549 0.74 RIPK2 (0.47) TTKRIPK2
SCHEMBL270681 0.74 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL14633958 0.73 MAP2K4 (0.43) RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
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 (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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 ALDH1A1 1337/4885MAPT 3359/4885ERBB2 113/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 ALDH1A1 2301/4885MAPT 3848/4885ERBB2 273/4885

“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.