SCHEMBL13509088

SCHEMBL13509088

CC(C)n1nc(-c2ccccc2)c(-c2ccc(CC#N)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.48
▸ PIK3CG P48736 3/20 0.48
▸ PIK3CD O00329 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ EGFR P00533 2/20 0.48
▸ HCK P08631 2/20 0.48
▸ SRC P12931 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ MTOR P42345 2/20 0.48
▸ EPHB4 P54760 2/20 0.48
▸ PRKDC P78527 2/20 0.48
▸ PI4KB Q9UBF8 2/20 0.48
▸ FLT3 P36888 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ PDPK1 O15530 1/20 0.36
▸ TNF P01375 1/20 0.36

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
SCHEMBL13510726 0.85 FLT3 (0.44) PIK3CAPIK3CGPIK3CDABL1EGFR
SCHEMBL8205530 0.83 FLT3 (0.45) PIK3CAPIK3CGPIK3CDABL1EGFR
SCHEMBL13509191 0.81 CNR2 (0.46) CNR2CNR1TRPV1MAOB
SCHEMBL343612 0.75 MMP3 (0.53) PIK3CAPIK3CGFLT3ABCB1ABCG2
SCHEMBL14270968 0.74 ALDH1A1 (0.48) —
SCHEMBL28730753 0.73 KMT2A (0.48) PIK3CAPIK3CGPIK3CDABL1EGFR
SCHEMBL13509085 0.73 RECQL (0.38) EGFR
SCHEMBL13509150 0.72 KDM4E (0.56) PIK3CAPIK3CGPIK3CDABL1EGFR
SCHEMBL13509094 0.72 NUDT14 (0.44) SRCKDRTSHR
SCHEMBL13509081 0.71 ADORA2A (0.49) PIK3CAPIK3CGPIK3CDABL1EGFR

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-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC PIK3CA 799/4885PIK3CG 1534/4885PIK3CD 1610/4885

“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.

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