SCHEMBL3377791

SCHEMBL3377791

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.42
CDK2 P24941 3/20 0.40
GSK3B P49841 3/20 0.40
CDK4 P11802 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
SYK P43405 5/20 0.39
STK16 O75716 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SRC P12931 1/20 0.38
ZAP70 P43403 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDR P35968 1/20 0.38
JAK2 O60674 1/20 0.38

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 0.94 IGF1R (0.44) IGF1RCDK2GSK3BCDK4SYK
SCHEMBL3373080 0.91 NPC1 (0.46) IGF1RNPC1MAPTSYKKDR
SCHEMBL3448604 0.90 IDH1 (0.46) IGF1RCDK2GSK3BCDK4SYK
SCHEMBL3448984 0.90 IGF1R (0.39) IGF1RCDK2GSK3BCDK4SYK
SCHEMBL3448046 0.87 IDH1 (0.48) NPC1MAPTSYKHDAC3HDAC1
SCHEMBL3375642 0.87 AXL (0.42) IGF1RCDK2SYKHDAC3HDAC1
SCHEMBL3448902 0.84 AURKA (0.46) CDK2CDK4NPC1MAPTSYK
SCHEMBL3378138 0.83 IGF1R (0.42) IGF1RCDK2GSK3BCDK4MAPT
SCHEMBL3376264 0.79 SYK (0.46) SYK
SCHEMBL3450201 0.79 SYK (0.41) CDK2GSK3BCDK4NPC1MAPT

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 4 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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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 4845/4885CDK2 2258/4885GSK3B 2904/4885

“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.