SCHEMBL1590815

SCHEMBL1590815

Nc1nc(NCc2ccccn2)nc2c1nc(-c1ccc(N3CCOCC3)cc1)n2-c1ccsc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
PIK3CB P42338 3/20 0.38
PIK3CD O00329 1/20 0.38
CSNK1D P48730 1/20 0.38
PIK3CG P48736 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NR2F2 P24468 1/20 0.37
SYK P43405 2/20 0.36
TYK2 P29597 1/20 0.36
BRSK1 Q8TDC3 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PDE3A Q14432 1/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL1591715 0.70 JAK2 (0.49) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL30740037 0.69 HTT (0.57) PIK3CAADORA2AADORA1PIK3CBPIK3CD
SCHEMBL1591977 0.69 JAK2 (0.37) ATR
SCHEMBL20837828 0.68 MAPT (0.60) PIK3CAPIK3CBPIK3CDPIK3CGKDM4E
SCHEMBL15722552 0.66 PIK3CA (0.49) PIK3CAPIK3CBPIK3CDCSNK1DPIK3CG
SCHEMBL1308757 0.65 PIK3CA (0.65) PIK3CAPIK3CBPIK3CDCSNK1DPIK3CG
SCHEMBL1310800 0.64 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDCSNK1DPIK3CG
SCHEMBL30515507 0.64 FLT3 (0.45) ALDH1A1FLT3
SCHEMBL12801089 0.63 JAK2 (0.61) TYK2
SCHEMBL3383765 0.63 TNF (0.71) KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 US claimed
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 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 (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-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN PIK3CA 158/4885ADORA2A 3080/4885ADORA1 3257/4885

“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.