SCHEMBL3376106

SCHEMBL3376106

O=Cc1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.38
EGFR P00533 1/20 0.37
MAPK1 P28482 1/20 0.36
STK17A Q9UEE5 3/20 0.36
STK17B O94768 2/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SYK P43405 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TDP2 O95551 1/20 0.34
CTSC P53634 1/20 0.34
AXL P30530 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDH1 O75874 2/20 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
SCHEMBL3450674 0.89 EGFR (0.37) ULK1EGFRMAPK1STK17ASTK17B
SCHEMBL3450678 0.89 EGFR (0.37) ULK1EGFRMAPK1STK17ASTK17B
SCHEMBL3449320 0.88 MAPK1 (0.42) ULK1EGFRMAPK1STK17ASTK17B
SCHEMBL3373198 0.87 EGFR (0.36) ULK1EGFRSTK17ASYKMAPT
SCHEMBL3373204 0.87 EGFR (0.36) ULK1EGFRSTK17ASYKMAPT
SCHEMBL3372082 0.86 XDH (0.40) ULK1EGFRSYK
SCHEMBL3451499 0.86 SYK (0.39) ULK1MAPK1STK17ASTK17BPTGS1
SCHEMBL13312854 0.86 ULK1 (0.39) ULK1EGFRMAPK1STK17ASTK17B
SCHEMBL3450069 0.85 SYK (0.42) ULK1EGFRMAPK1STK17ASTK17B
SCHEMBL3449322 0.84 MAPK1 (0.47) ULK1MAPK1STK17ASTK17BSYK

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 5 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
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 ULK1 2054/4885EGFR 2771/4885MAPK1 2905/4885

“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.