SCHEMBL3448334

SCHEMBL3448334

CN(C)C(=O)N1CCN(c2nc(Nc3ccc(F)c(Cl)c3)ncc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.46
BCR P11274 4/20 0.46
EGFR P00533 5/20 0.45
SYK P43405 3/20 0.44
AXL P30530 2/20 0.43
ALK Q9UM73 1/20 0.43
MAPK1 P28482 1/20 0.42
FGFR1 P11362 1/20 0.41
SCN9A Q15858 1/20 0.41
JAK2 O60674 1/20 0.41
FLT3 P36888 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
SCHEMBL3449787 0.90 ALK (0.54) ABL1BCREGFRSYKALK
SCHEMBL3450288 0.86 ABL1 (0.46) ABL1BCREGFRSYKAXL
SCHEMBL3450587 0.85 CCND3 (0.51) ABL1BCREGFRSYKAXL
SCHEMBL3449451 0.84 AXL (0.57) EGFRAXLALKMAPK1
SCHEMBL13348309 0.84 SYK (0.44) ABL1BCREGFRSYKAXL
SCHEMBL3452720 0.83 MAPK1 (0.51) EGFRAXLMAPK1
SCHEMBL3449764 0.83 MAPK1 (0.51) EGFRAXLMAPK1
SCHEMBL3449638 0.82 MAPK1 (0.50) EGFRAXLMAPK1
SCHEMBL3450023 0.82 MAPK1 (0.50) EGFRAXLMAPK1
SCHEMBL3344452 0.82 ABL1 (0.56) ABL1BCREGFRSYKAXL

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 ABL1 370/4885BCR 3224/4885EGFR 2771/4885

“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.