SCHEMBL3450987

SCHEMBL3450987

CCOC(=O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)cnc1OCCS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
ERBB2 P04626 1/20 0.38
SYK P43405 2/20 0.35
MAPT P10636 2/20 0.35
CA2 P00918 1/20 0.35
ITK Q08881 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
BRD4 O60885 1/20 0.34
SCN9A Q15858 7/20 0.33
NPC1 O15118 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL3451348 0.90 NPC1 (0.38) SYKMAPTNPC1
SCHEMBL3448556 0.90 MAPT (0.38) EGFRERBB2SYKMAPTCA2
SCHEMBL3449180 0.89 EGFR (0.37) EGFRERBB2SYKJAK2JAK1
SCHEMBL3448928 0.88 P2RX3 (0.40) EGFRERBB2SYKMAPTJAK2
SCHEMBL3448208 0.88 AXL (0.42) EGFRERBB2SYKBRD4
SCHEMBL3448766 0.87 EGFR (0.38) EGFRERBB2SYKMAPTJAK2
SCHEMBL13312614 0.87 SYK (0.35) EGFRSYKITKSCN9ACDK2
SCHEMBL3449259 0.86 EGFR (0.37) EGFRERBB2SYKMAPTJAK2
SCHEMBL13312583 0.85 SIRT5 (0.39) EGFRSYKMAPTITKJAK2
SCHEMBL3447997 0.85 EGFR (0.41) EGFRERBB2SYKMAPTCA2

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 EGFR 2771/4885ERBB2 2537/4885SYK 804/4885

“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.