SCHEMBL2243597

SCHEMBL2243597

COc1ncnc2[nH]nc(-c3cccc(N)c3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
LRRK2 Q5S007 5/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
ENPP2 Q13822 1/20 0.41
FYN P06241 1/20 0.40
EIF2AK2 P19525 1/20 0.39
GSK3B P49841 1/20 0.39
TTK P33981 1/20 0.39
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
CDK1 P06493 1/20 0.38
PRKCA P17252 1/20 0.38
FLT3 P36888 1/20 0.38
CCR4 P51679 1/20 0.38
MAP4K4 O95819 1/20 0.38
KIT P10721 2/20 0.37

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
SCHEMBL30387156 0.82 PIK3CD (0.59) AURKAPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1838247 0.82 LRRK2 (0.51) LRRK2GSK3B
SCHEMBL1839616 0.79 LRRK2 (0.43) LRRK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1841197 0.78 LRRK2 (0.49) AURKALRRK2TTKCCR4
SCHEMBL145785 0.76 SRC (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12347206 0.75 PIK3CD (0.48) LRRK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18613311 0.72 FYN (0.67) FYNABL1FLT3KIT
SCHEMBL30521850 0.72 FYN (0.67) FYNABL1FLT3KIT
SCHEMBL8115857 0.72 EGFR (0.69) ABL1EGFRCDK1PRKCA
SCHEMBL30386858 0.71 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 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-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 AURKA 68/4885LRRK2 1532/4885PIK3CD 297/4885

“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.