SCHEMBL3312830

SCHEMBL3312830

COc1cc(-c2ccccn2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.49
PIK3CD O00329 1/20 0.49
EGFR P00533 1/20 0.49
KDR P35968 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CG P48736 1/20 0.49
BACE1 P56817 1/20 0.49
PRKDC P78527 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
ERN1 O75460 1/20 0.46
KMT2A Q03164 1/20 0.44
SRC P12931 2/20 0.44
MAPK14 Q16539 1/20 0.44
SMO Q99835 1/20 0.44
HTT P42858 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5869249 0.85 AAK1 (0.48) MAPK14SMOIRAK4SCN9ATRPV1
SCHEMBL5868992 0.81 MAPT (0.46) HTTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL30474806 0.81 MAPT (0.46) HTTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL17197347 0.81 CYP17A1 (0.57) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL2832783 0.78 TRPV1 (0.60) ABL1MAPK14SMOSCN5ASCN9A
SCHEMBL30684825 0.77 ABL1 (0.53) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL90842 0.76 ATR (0.44) KMT2AHTTIRAK4RAB9AALDH1A1
SCHEMBL1676024 0.76 HTT (0.50) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL15457550 0.76 EPHX1 (0.57) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL5558148 0.75 SCN9A (0.49) KMT2ASCN5ASCN9A

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ABL1 430/4885PIK3CD 935/4885EGFR 2481/4885

“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.