SCHEMBL3448159

SCHEMBL3448159

COc1cc(Nc2ncc(-c3ccc(C(=O)O)s3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SYK P43405 5/20 0.44
SRC P12931 3/20 0.44
ZAP70 P43403 3/20 0.44
CDK2 P24941 3/20 0.43
GSK3B P49841 3/20 0.43
CDK4 P11802 2/20 0.43
CSNK2A1 P68400 1/20 0.43
STK16 O75716 1/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
JAK2 O60674 1/20 0.40
CYP3A4 P08684 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL3451697 0.82 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3448617 0.81 CSNK2A1 (0.40) CSNK2A1AXL
SCHEMBL3447042 0.81 KDR (0.49) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3448861 0.80 GSK3B (0.45) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3449229 0.80 GSK3B (0.45) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3449137 0.79 CSNK2A1 (0.43) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3448863 0.79 CDK2 (0.44) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3450550 0.79 KDR (0.42) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3450547 0.79 KDR (0.42) HDAC3HDAC1HDAC2HDAC6SYK
SCHEMBL3373077 0.79 SYK (0.41) HDAC3HDAC1HDAC2HDAC6SYK

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-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 HDAC3 1200/4885HDAC1 1109/4885HDAC2 1655/4885

“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.