SCHEMBL3449117

SCHEMBL3449117

COC(=O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2nc(C(F)(F)F)cc2C)cnc1NCCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.41
MAPK14 Q16539 2/20 0.39
MAP3K8 P41279 2/20 0.39
LCK P06239 2/20 0.39
SYK P43405 2/20 0.39
BRAF P15056 3/20 0.39
FYN P06241 1/20 0.38
MAPK13 O15264 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
SRC P12931 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
MAPK12 P53778 1/20 0.38
PRKCE Q02156 1/20 0.38
MAP2K1 Q02750 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 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
SCHEMBL3449285 0.94 EGFR (0.42) EGFRMAPK14MAP3K8LCKSYK
SCHEMBL3451503 0.90 EGFR (0.41) EGFRMAPK14MAP3K8LCKSYK
SCHEMBL3449957 0.89 CSNK2A1 (0.42) EGFRSYKBRAFAXLLRRK2
SCHEMBL3448462 0.88 SYK (0.38) EGFRMAPK14LCKSYKBRAF
SCHEMBL3448651 0.86 SYK (0.48) EGFRSYKAXL
SCHEMBL3447784 0.83 CSNK2A1 (0.45) EGFRSYKBRAFLRRK2
SCHEMBL3449838 0.83 RAF1 (0.44) EGFRMAPK14LCKSYKMAPK13
SCHEMBL3451285 0.83 AXL (0.37) EGFRSYKAXL
SCHEMBL3454800 0.83 SYK (0.42) EGFRMAP3K8SYKBRAFKDR
SCHEMBL13312778 0.82 EGFR (0.43) EGFRMAPK14MAP3K8LCKSYK

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
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 EGFR 2771/4885MAPK14 1385/4885MAP3K8 3307/4885

“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.