SCHEMBL3450341

SCHEMBL3450341

OC1CCN(c2nc(Nc3ccc(F)c(Cl)c3)ncc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
FLT3 P36888 2/20 0.46
KIT P10721 1/20 0.46
MALT1 Q9UDY8 5/20 0.45
AXL P30530 3/20 0.43
STK17A Q9UEE5 2/20 0.43
STK17B O94768 1/20 0.43
EGFR P00533 2/20 0.42
ERBB2 P04626 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
JAK3 P52333 2/20 0.41
LCK P06239 1/20 0.41
IDH2 P48735 1/20 0.41
ULK1 O75385 1/20 0.41
CDK2 P24941 1/20 0.40
MAPKAPK2 P49137 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
SCHEMBL3448723 0.94 LCK (0.48) MAPK1FLT3KITMALT1AXL
SCHEMBL3450656 0.93 MAPK1 (0.49) MAPK1MALT1AXLSTK17ASTK17B
SCHEMBL3452720 0.88 MAPK1 (0.51) MAPK1AXLSTK17ASTK17BEGFR
SCHEMBL3449764 0.88 MAPK1 (0.51) MAPK1AXLSTK17ASTK17BEGFR
SCHEMBL3449638 0.87 MAPK1 (0.50) MAPK1AXLSTK17ASTK17BEGFR
SCHEMBL3450023 0.87 MAPK1 (0.50) MAPK1AXLSTK17ASTK17BEGFR
SCHEMBL3451168 0.87 MAPK1 (0.44) MAPK1MALT1AXLSTK17ASTK17B
SCHEMBL3448492 0.86 MALT1 (0.53) MALT1EGFRHTT
SCHEMBL3450611 0.86 SYK (0.46) MAPK1MALT1AXLEGFRERBB2
SCHEMBL3450288 0.85 ABL1 (0.46) MAPK1MALT1AXLEGFR

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 MAPK1 2905/4885FLT3 564/4885KIT 550/4885

“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.