SCHEMBL3450073

SCHEMBL3450073

COc1nc(OC)c(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
PTK2 Q05397 2/20 0.36
SYK P43405 4/20 0.36
CSNK2A1 P68400 4/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
PLK4 O00444 1/20 0.36
PDPK1 O15530 1/20 0.36
ABL1 P00519 1/20 0.36
ERBB2 P04626 1/20 0.36
NTRK1 P04629 1/20 0.36
GNAI2 P04899 1/20 0.36
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
HCK P08631 1/20 0.36
ROS1 P08922 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
GABRA1 P14867 1/20 0.36
FER P16591 1/20 0.36

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
SCHEMBL3448901 0.92 EGFR (0.41) EGFRPTK2SYKCSNK2A1AURKA
SCHEMBL3449033 0.89 SYK (0.41) EGFRPTK2SYKCSNK2A1AURKA
SCHEMBL3450497 0.87 EGFR (0.40) EGFRPTK2SYKCSNK2A1AURKA
SCHEMBL3450103 0.87 SYK (0.41) EGFRSYKCSNK2A1BTK
SCHEMBL3451001 0.86 SYK (0.47) EGFRPTK2SYKCSNK2A1AURKA
SCHEMBL3378656 0.85 PTK2 (0.37) EGFRPTK2SYKCSNK2A1ABL1
SCHEMBL13312593 0.85 SYK (0.38) EGFRSYKULK1
SCHEMBL3450350 0.85 PTK2 (0.45) EGFRPTK2SYKCSNK2A1AURKA
SCHEMBL3449077 0.85 SYK (0.39) EGFRSYKULK1MAPTNPSR1
SCHEMBL3451173 0.85 CSF1R (0.42) EGFRPTK2SYKCSF1R

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 EGFR 2771/4885PTK2 3971/4885SYK 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.