SCHEMBL13311998

SCHEMBL13311998

[C-]#[N+]c1cc(Nc2ncc(-c3cnc(OC)c(C(=O)O)c3)c(-n3ccc(C(F)(F)F)n3)n2)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.38
CNR2 P34972 2/20 0.35
MAPK3 P27361 1/20 0.35
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DAPK1 P53355 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13311994 0.94 TYRO3 (0.36) SYKCNR2MAPK3TYRO3MERTK
SCHEMBL13312061 0.93 SYK (0.44) SYK
SCHEMBL3375491 0.93 SYK (0.41) SYKCNR2MAPK3TYRO3MERTK
SCHEMBL13311975 0.91 SYK (0.40) SYKCNR2NPC1MAPTRAB9A
SCHEMBL3376264 0.90 SYK (0.46) SYK
SCHEMBL3448415 0.90 SYK (0.39) SYKCNR2MAPK3TYRO3MERTK
SCHEMBL3448433 0.89 SYK (0.39) SYKCNR2MAPK3TYRO3MERTK
SCHEMBL13311992 0.88 HDAC3 (0.35) SYKCNR2MAPK3TYRO3MERTK
SCHEMBL3448117 0.87 IDH1 (0.39) SYKCNR2MAPK3TYRO3MERTK
SCHEMBL13312056 0.87 SYK (0.39) SYKNPC1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD SYK 804/4885CNR2 517/4885MAPK3 2827/4885

“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.