SCHEMBL13510494

SCHEMBL13510494

CCn1nc(-c2ccccc2)c(-c2ccc3ccccc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.50
▸ ADORA1 P30542 3/20 0.50
▸ PIK3CD O00329 6/20 0.48
▸ PRKDC P78527 6/20 0.48
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ SRC P12931 5/20 0.42
▸ PIK3CA P42336 5/20 0.42
▸ PIK3CB P42338 5/20 0.42
▸ PIK3CG P48736 5/20 0.42
▸ ABL1 P00519 3/20 0.42
▸ EGFR P00533 1/20 0.42
▸ HCK P08631 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ EPHB4 P54760 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41

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
SCHEMBL17280145 0.84 CASP1 (0.42) ADORA1PIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL13243234 0.84 KMT2A (0.47) ADORA1KDM4EMEN1KMT2AALDH1A1
SCHEMBL8214222 0.83 ADORA2A (0.53) ADORA2AADORA1PIK3CDPRKDCMAPK8
SCHEMBL13509081 0.82 ADORA2A (0.49) ADORA2AADORA1PIK3CDPRKDCMAPK8
SCHEMBL13510688 0.78 LTA4H (0.47) KDM4EALDH1A1ATMTDP1L3MBTL1
SCHEMBL13510724 0.78 KDM4E (0.57) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL14294733 0.77 NR1H2 (0.54) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL13510682 0.74 MAPK14 (0.43) ADORA2AADORA1KDM4EMEN1KMT2A
SCHEMBL10072206 0.73 PTGS2 (0.40) ADORA1KDM4EMEN1KMT2AALDH1A1
SCHEMBL28079530 0.73 ADORA2A (0.62) ADORA2AADORA1MAPK8MAPK9MAPK10

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 ADORA2A 3161/4885ADORA1 3564/4885PIK3CD 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.

Send feedback