SCHEMBL3449458

SCHEMBL3449458

CCOC(=O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2NCCCN2CCS(=O)(=O)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 4/20 0.45
AXL P30530 4/20 0.45
STK17B O94768 2/20 0.43
PAK1 Q13153 1/20 0.43
BRD4 O60885 1/20 0.40
CSNK2A1 P68400 1/20 0.39
FGFR1 P11362 2/20 0.39
SIRT5 Q9NXA8 2/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 1/20 0.38
MAP3K8 P41279 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
SCHEMBL3448151 0.96 AXL (0.46) STK17AAXLSTK17BPAK1BRD4
SCHEMBL3461367 0.91 STK17A (0.46) STK17AAXLSTK17BEGFRERBB2
SCHEMBL3448179 0.90 STK17A (0.47) STK17AAXLSTK17BCSNK2A1FGFR1
SCHEMBL3448660 0.90 AXL (0.53) STK17AAXLSTK17BPAK1BRD4
SCHEMBL3449696 0.87 EGFR (0.46) STK17AAXLSTK17BBRD4EGFR
SCHEMBL3451722 0.86 MEN1 (0.46) STK17AAXLSTK17BPAK1CSNK2A1
SCHEMBL3450813 0.86 AXL (0.46) STK17AAXLSTK17BCSNK2A1EGFR
SCHEMBL13310831 0.86 STK17A (0.51) STK17AAXLSTK17BEGFRMAP3K8
SCHEMBL3448587 0.85 STK17A (0.50) STK17AAXLSTK17BPAK1CSNK2A1
SCHEMBL3447211 0.85 STK17A (0.51) STK17ASTK17BCSNK2A1SIRT5

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 STK17A 1984/4885AXL 2812/4885STK17B 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.