SCHEMBL178951

SCHEMBL178951

COc1cncc(-c2ccc3nc(Nc4cc(Cc5ccccc5)nc(N)n4)sc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.54
PIK3CG P48736 14/20 0.52
LCK P06239 4/20 0.51
ITK Q08881 4/20 0.51
AURKB Q96GD4 4/20 0.51
PIK3CA P42336 11/20 0.51
PIP5K1C O60331 1/20 0.46
PIK3CB P42338 1/20 0.46
PI4KA P42356 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
SRC P12931 1/20 0.43
TEC P42680 1/20 0.43
TXK P42681 1/20 0.43
BMX P51813 1/20 0.43
BTK Q06187 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL13189384 0.83 ABL1 (0.52) PIK3CDPIK3CGLCKITKAURKB
SCHEMBL138576 0.82 AURKB (0.79) PIK3CDPIK3CGLCKITKAURKB
SCHEMBL138575 0.82 AURKB (0.79) PIK3CDPIK3CGLCKITKAURKB
SCHEMBL10081057 0.81 PIK3CG (0.56) PIK3CDPIK3CGAURKBPIK3CAMEN1
SCHEMBL10081021 0.79 NPC1 (0.68) PIK3CDPIK3CGPIK3CAPIP5K1CPIK3CB
SCHEMBL178947 0.79 AURKB (0.49) PIK3CDPIK3CGLCKITKAURKB
SCHEMBL10080976 0.78 PIK3CD (0.62) PIK3CDPIK3CGLCKPIK3CAPIP5K1C
SCHEMBL178949 0.77 AURKB (0.54) PIK3CDPIK3CGLCKITKAURKB
SCHEMBL10080989 0.76 PIK3CD (0.67) PIK3CDPIK3CGLCKPIK3CAPIP5K1C
SCHEMBL10081070 0.76 PIK3CG (0.64) PIK3CDPIK3CGPIK3CAPIP5K1CPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK PIK3CD 231/4885PIK3CG 308/4885LCK 189/4885

“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.