SCHEMBL3448259

SCHEMBL3448259

CCOC(=O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2NC(COC)COC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.42
SOS1 Q07889 1/20 0.42
EGFR P00533 4/20 0.41
ERBB2 P04626 1/20 0.41
CSNK2A1 P68400 3/20 0.40
AXL P30530 1/20 0.40
PAK1 Q13153 1/20 0.40
STK17B O94768 1/20 0.40
FGFR1 P11362 2/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
BRD4 O60885 1/20 0.39
ALK Q9UM73 1/20 0.39
ITK Q08881 2/20 0.39
SYK P43405 2/20 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
SCHEMBL3451563 0.90 CSNK2A1 (0.48) STK17ASOS1EGFRCSNK2A1AXL
SCHEMBL3449089 0.90 STK17A (0.44) STK17ASOS1EGFRERBB2CSNK2A1
SCHEMBL3450283 0.90 STK17A (0.43) STK17ASOS1EGFRERBB2CSNK2A1
SCHEMBL13420268 0.90 STK17A (0.43) STK17ASOS1EGFRERBB2CSNK2A1
SCHEMBL3451827 0.89 CSNK2A1 (0.49) STK17AEGFRERBB2CSNK2A1AXL
SCHEMBL3447211 0.88 STK17A (0.51) STK17ACSNK2A1STK17BITK
SCHEMBL3448587 0.86 STK17A (0.50) STK17AEGFRERBB2CSNK2A1AXL
SCHEMBL3451090 0.86 STK17A (0.47) STK17AEGFRERBB2CSNK2A1AXL
SCHEMBL13311563 0.86 NPC1 (0.45) STK17AEGFRERBB2CSNK2A1PAK1
SCHEMBL3448849 0.85 SYK (0.49) STK17AEGFRERBB2CSNK2A1AXL

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 STK17A 1984/4885SOS1 2048/4885EGFR 2771/4885

“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.