SCHEMBL3450656

SCHEMBL3450656

Fc1ccc(Nc2ncc(Br)c(N3CCC(F)CC3)n2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
STK17A Q9UEE5 2/20 0.45
STK17B O94768 1/20 0.45
AXL P30530 4/20 0.45
MALT1 Q9UDY8 4/20 0.44
EGFR P00533 3/20 0.44
ERBB2 P04626 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ULK1 O75385 1/20 0.42
CDK2 P24941 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
TDO2 P48775 1/20 0.41

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
SCHEMBL3450341 0.93 MAPK1 (0.46) MAPK1STK17ASTK17BAXLMALT1
SCHEMBL3452720 0.91 MAPK1 (0.51) MAPK1STK17ASTK17BAXLEGFR
SCHEMBL3449764 0.91 MAPK1 (0.51) MAPK1STK17ASTK17BAXLEGFR
SCHEMBL3344180 0.90 NPC1 (0.53) MAPK1EGFRCDK2NPC1RAB9A
SCHEMBL3450023 0.90 MAPK1 (0.50) MAPK1STK17ASTK17BAXLEGFR
SCHEMBL3449638 0.90 MAPK1 (0.50) MAPK1STK17ASTK17BAXLEGFR
SCHEMBL3451168 0.90 MAPK1 (0.44) MAPK1STK17ASTK17BAXLMALT1
SCHEMBL3451371 0.89 FGFR1 (0.45) MAPK1EGFRNPC1RAB9ASMN1; SMN2
SCHEMBL3448723 0.89 LCK (0.48) MAPK1STK17ASTK17BAXLMALT1
SCHEMBL13310378 0.88 BRD4 (0.52) MAPK1STK17ASTK17BAXLEGFR

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 2905/4885STK17A 1984/4885STK17B 2457/4885

“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.