SCHEMBL3344899

SCHEMBL3344899

COc1nc(Nc2ccc(F)c(Cl)c2)ncc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.54
MAPK1 P28482 1/20 0.51
STK17A Q9UEE5 3/20 0.49
ULK1 O75385 2/20 0.49
STK17B O94768 2/20 0.49
BCL6 P41182 4/20 0.45
AURKA O14965 2/20 0.45
EGFR P00533 2/20 0.45
ERBB2 P04626 1/20 0.45
INSR P06213 1/20 0.45
FBP1 P09467 1/20 0.45
PDGFRB P09619 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
CLK1 P49759 1/20 0.45
EPHB4 P54760 1/20 0.45
TEK Q02763 1/20 0.45
AURKB Q96GD4 1/20 0.45
AXL P30530 2/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL3344858 0.83 MAPK1 (0.57) APPMAPK1STK17AULK1STK17B
SCHEMBL13310349 0.81 MAPK1 (0.54) APPMAPK1STK17AULK1STK17B
SCHEMBL3451191 0.80 ULK1 (0.45) MAPK1ULK1AURKAEGFRKDR
SCHEMBL3350947 0.80 MAPK1 (0.51) APPMAPK1STK17AULK1STK17B
SCHEMBL3344041 0.80 ULK1 (0.57) ULK1AURKAKDRSYK
SCHEMBL3344593 0.80 STK17A (0.60) APPMAPK1STK17AULK1STK17B
SCHEMBL3450582 0.78 STK17A (0.59) STK17ASTK17BBCL6AXLSYK
SCHEMBL3458921 0.78 CDK1 (0.57) APPMAPK1STK17AULK1STK17B
SCHEMBL3344725 0.78 CA12 (0.50) APPMAPK1STK17AULK1STK17B
SCHEMBL3450739 0.78 STK17A (0.50) APPMAPK1STK17AULK1STK17B

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 APP 3735/4885MAPK1 2905/4885STK17A 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.