SCHEMBL3449155

SCHEMBL3449155

COc1ncc(-c2cnc(Nc3cccc(C(N)=O)c3)nc2-n2ccc(C(F)(F)F)n2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.44
AURKA O14965 2/20 0.42
BTK Q06187 2/20 0.39
EGFR P00533 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
LCK P06239 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
ALK Q9UM73 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
SCHEMBL3449546 0.94 SYK (0.44) SYKAURKABTKEGFRLCK
SCHEMBL3449826 0.93 SYK (0.45) SYKBTKEGFRLCK
SCHEMBL3449366 0.90 SYK (0.43) SYK
SCHEMBL3448751 0.89 MAPT (0.45) SYKAURKABTKEGFRLCK
SCHEMBL3449516 0.87 SYK (0.44) SYKAURKABTKEGFRMAPK8
SCHEMBL13311975 0.87 SYK (0.40) SYK
SCHEMBL3451469 0.87 CNR2 (0.43) SYKBTKEGFR
SCHEMBL3451464 0.87 SYK (0.45) SYKAURKABTKEGFRLCK
SCHEMBL3376113 0.86 SYK (0.49) SYK
SCHEMBL3375491 0.86 SYK (0.41) SYK

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 SYK 804/4885AURKA 3990/4885BTK 1019/4885

“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.