SCHEMBL3450028

SCHEMBL3450028

FC(F)(F)c1ccn(-c2nc(Nc3ccc4c(c3)CCC4)ncc2Br)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.48
IGF1R P08069 2/20 0.44
STK17A Q9UEE5 3/20 0.39
STK17B O94768 2/20 0.39
SYK P43405 2/20 0.39
IDH1 O75874 4/20 0.38
ULK1 O75385 2/20 0.38
CHEK1 O14757 1/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
PTK2B Q14289 1/20 0.36
JAK2 O60674 1/20 0.36
PTK2 Q05397 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
SCHEMBL3447878 0.82 EGFR (0.48) EGFRIGF1RSTK17ASTK17BSYK
SCHEMBL3447036 0.81 ULK1 (0.56) STK17ASTK17BULK1CHEK1FLT3
SCHEMBL3373633 0.81 ULK1 (0.44) EGFRSTK17ASTK17BIDH1ULK1
SCHEMBL3448088 0.81 TBK1 (0.44) SYKIDH1
SCHEMBL3373080 0.80 NPC1 (0.46) IGF1RSYKIDH1FLT3JAK2
SCHEMBL3373625 0.80 MAPT (0.48) IGF1RSYK
SCHEMBL3448902 0.80 AURKA (0.46) SYKIDH1PTK2
SCHEMBL3449926 0.79 SYK (0.38) SYKULK1
SCHEMBL3374211 0.78 IGF1R (0.44) IGF1RSYKIDH1
SCHEMBL3450149 0.77 SYK (0.50) EGFRIGF1RSYKIDH1PTK2

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 2771/4885IGF1R 4845/4885STK17A 1984/4885

“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.