SCHEMBL3453063

SCHEMBL3453063

CS(=O)(=O)CC(=O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.35
IDH2 P48735 1/20 0.35
STK17A Q9UEE5 2/20 0.34
ULK1 O75385 1/20 0.34
MAPK1 P28482 1/20 0.34
STK17B O94768 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK1A1 P48729 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
SYK P43405 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL3451524 0.89 SYK (0.40) SYK
SCHEMBL3372082 0.88 XDH (0.40) EGFRULK1CSNK2A1SYK
SCHEMBL3450069 0.87 SYK (0.42) EGFRSTK17AULK1MAPK1STK17B
SCHEMBL3449183 0.87 JAK1 (0.39) EGFR
SCHEMBL3451499 0.86 SYK (0.39) STK17AULK1MAPK1STK17BPTGS1
SCHEMBL3450169 0.86 SYK (0.44) EGFRSTK17AABL1BCRSYK
SCHEMBL13421131 0.85 EGFR (0.36) EGFRULK1MAPK1ABL1BCR
SCHEMBL3451409 0.83 IDH2 (0.39) IDH2STK17AULK1MAPK1STK17B
SCHEMBL3452624 0.83 SYK (0.48) SYK
SCHEMBL3451008 0.82 PIK3CD (0.38) EGFRIDH2STK17AULK1MAPK1

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 2771/4885IDH2 1053/4885STK17A 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.