SCHEMBL3450388

SCHEMBL3450388

O=C(O)C(=O)Nc1cccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CSNK1A1 P48729 1/20 0.42
SYK P43405 15/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BTK Q06187 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
SCHEMBL3447249 0.89 SYK (0.42) MAPTNPSR1CSNK1A1SYKBTK
SCHEMBL3374672 0.88 SYK (0.48) MAPTNPSR1SYK
SCHEMBL3448633 0.86 MAPT (0.37) MAPTNPSR1CSNK1A1SYK
SCHEMBL3448630 0.86 MAPT (0.37) MAPTNPSR1CSNK1A1SYK
SCHEMBL3448235 0.86 SYK (0.49) MAPTNPSR1CSNK1A1SYKBTK
SCHEMBL3450762 0.85 STK17A (0.41) MAPTNPSR1CSNK1A1SYK
SCHEMBL3374661 0.85 SYK (0.45) MAPTNPSR1CSNK1A1SYK
SCHEMBL3447449 0.84 SYK (0.37) MAPTNPSR1CSNK1A1SYK
SCHEMBL3375503 0.84 SYK (0.40) MAPTNPSR1SYK
SCHEMBL3450657 0.84 SYK (0.39) MAPTNPSR1CSNK1A1SYK

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 MAPT 3947/4885NPSR1 2715/4885CSNK1A1 1378/4885

“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.