SCHEMBL3448984

SCHEMBL3448984

COc1cc(Cl)cc(Nc2ncc(Br)c(-n3ccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CNR2 P34972 2/20 0.38
EGFR P00533 1/20 0.37
FGFR1 P11362 1/20 0.37
IDH1 O75874 4/20 0.37
BRD4 O60885 1/20 0.36
AXL P30530 1/20 0.36
CDK2 P24941 3/20 0.36
GSK3B P49841 2/20 0.36
CDK4 P11802 2/20 0.36
STK16 O75716 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
SYK P43405 2/20 0.36

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
SCHEMBL3374211 0.93 IGF1R (0.44) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3448604 0.90 IDH1 (0.46) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3377791 0.90 IGF1R (0.42) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3375642 0.86 AXL (0.42) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3373625 0.83 MAPT (0.48) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3450756 0.83 IGF1R (0.41) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3451277 0.83 IDH1 (0.46) CNR2IDH1SYK
SCHEMBL3373080 0.82 NPC1 (0.46) IGF1RIDH1SYKKDR
SCHEMBL3373633 0.81 ULK1 (0.44) EGFRIDH1AXLKDR
SCHEMBL3449054 0.80 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6CNR2

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 IGF1R 4845/4885HDAC3 1200/4885HDAC1 1109/4885

“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.