SCHEMBL3450339

SCHEMBL3450339

CCS(=O)(=O)NC(=O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)cnc1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.41
SCN5A Q14524 3/20 0.41
PIK3CD O00329 1/20 0.41
EGFR P00533 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ABCB11 O95342 1/20 0.37
CYP2C9 P11712 1/20 0.37
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL3450457 0.93 SCN9A (0.46) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL3447244 0.90 PTK2 (0.42) SCN9A
SCHEMBL3449613 0.89 PTK2 (0.37) SCN9APIK3CDEGFRPIK3CAPIK3CB
SCHEMBL3448548 0.89 TYRO3 (0.37) SCN9ASCN5A
SCHEMBL3447965 0.89 NPC1 (0.39) SCN9ASCN5A
SCHEMBL3448901 0.89 EGFR (0.41) PIK3CDEGFRPIK3CAPIK3CBPIK3CG
SCHEMBL3378656 0.89 PTK2 (0.37) PIK3CDEGFRPIK3CAPIK3CBPIK3CG
SCHEMBL3449227 0.88 SCN9A (0.42) SCN9ASCN5APIK3CDEGFRPIK3CA
SCHEMBL3451173 0.88 CSF1R (0.42) EGFR
SCHEMBL13312701 0.88 SCN9A (0.37) SCN9ASCN5APIK3CDEGFRPIK3CA

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 SCN9A 3206/4885SCN5A 2055/4885PIK3CD 2522/4885

“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.