SCHEMBL3457053

SCHEMBL3457053

Cc1c(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)cnc(OCCn2ccnc2)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.39
ITK Q08881 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
SRC P12931 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
AXL P30530 2/20 0.33
TBXAS1 P24557 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SYK P43405 1/20 0.33
STK17A Q9UEE5 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
SCHEMBL3449232 0.88 EGFR (0.39) EGFRITKABL1BCRSRC
SCHEMBL3374382 0.86 EGFR (0.41) EGFRITKABL1BCRSRC
SCHEMBL3449502 0.80 EGFR (0.39) EGFRITKABL1BCRSRC
SCHEMBL3449186 0.80 SYK (0.38) EGFRAXLSYKSTK17A
SCHEMBL3450073 0.79 EGFR (0.41) EGFRABL1SRCSYK
SCHEMBL3450103 0.78 SYK (0.41) EGFRITKAXLSYK
SCHEMBL13312602 0.77 SYK (0.46) EGFRAXLSYK
SCHEMBL3378731 0.77 EGFR (0.40) EGFRITKABL1BCRSRC
SCHEMBL13312430 0.77 SYK (0.38) SYKSTK17A
SCHEMBL3449033 0.77 SYK (0.41) EGFRABL1SRCSYK

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 1 patent. 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

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 2771/4885ITK 2005/4885ABL1 370/4885

“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.