SCHEMBL3449137

SCHEMBL3449137

COc1cc(F)cc(Nc2ncc(-c3ccc(C(=O)O)s3)c(-n3ccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.43
IDH1 O75874 6/20 0.40
MAPK3 P27361 1/20 0.38
SYK P43405 3/20 0.38
DAPK1 P53355 1/20 0.36
AXL P30530 1/20 0.36
FGFR3 P22607 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CNR2 P34972 1/20 0.35
EGFR P00533 1/20 0.35
BTK Q06187 1/20 0.35
STK16 O75716 1/20 0.34
CDK2 P24941 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34

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
SCHEMBL3449762 0.84 IDH1 (0.39) IDH1MAPK3SYKDAPK1AXL
SCHEMBL13312523 0.83 SYK (0.41) IDH1SYKDAPK1HDAC3HDAC1
SCHEMBL3451542 0.83 SYK (0.44) IDH1SYKCNR2EGFRBTK
SCHEMBL3448415 0.83 SYK (0.39) IDH1MAPK3SYKDAPK1HDAC3
SCHEMBL3463734 0.81 IDH1 (0.38) IDH1MAPK3SYKDAPK1AXL
SCHEMBL3451069 0.81 SYK (0.38) IDH1SYKHDAC3HDAC1HDAC2
SCHEMBL3375491 0.79 SYK (0.41) MAPK3SYKDAPK1HDAC3HDAC1
SCHEMBL3376553 0.79 PDGFRB (0.40) MAPK3SYKHDAC3HDAC1HDAC2
SCHEMBL3448159 0.79 HDAC3 (0.44) CSNK2A1MAPK3SYKAXLHDAC3
SCHEMBL3449325 0.79 TYRO3 (0.37) IDH1MAPK3SYKDAPK1AXL

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 3 patents. 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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
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 CSNK2A1 1858/4885IDH1 718/4885MAPK3 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.