SCHEMBL13510726

SCHEMBL13510726

CCn1nc(-c2ccccc2)c(-c2ccc(CC#N)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.44
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ HCK P08631 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ ADORA2A P29274 1/20 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
SCHEMBL8205530 0.86 FLT3 (0.45) FLT3PIK3CAPIK3CGPIK3CDABL1
SCHEMBL13509088 0.85 PIK3CA (0.48) FLT3PIK3CAPIK3CGPIK3CDABL1
SCHEMBL13243234 0.81 KMT2A (0.47) ADORA1KDM4EMAPK1MEN1KMT2A
SCHEMBL343612 0.77 MMP3 (0.53) FLT3PIK3CAPIK3CGABCB1ABCG2
SCHEMBL14294733 0.75 NR1H2 (0.54) ADORA2AADORA1KDM4EMAPK1MEN1
SCHEMBL17280145 0.74 CASP1 (0.42) PIK3CAPIK3CGPIK3CDPIK3CBPRKDC
SCHEMBL13510721 0.73 NR1H3 (0.44) EGFRADORA1KDM4EMAPK1MEN1
SCHEMBL13510724 0.72 KDM4E (0.57) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL13510688 0.72 LTA4H (0.47) KDM4EATMTDP1L3MBTL1LMNA
Propane SCHEMBL1553335 0.71 TP53 (0.48) ABCB1ABCG2MMP3KDM4EMEN1

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 FLT3 980/4885PIK3CA 799/4885PIK3CG 1534/4885

“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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