SCHEMBL3344593

SCHEMBL3344593

NNc1nc(Nc2ccc(F)c(Cl)c2)ncc1Br

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 6/20 0.60
STK17B O94768 5/20 0.60
MAPK1 P28482 1/20 0.56
SYK P43405 2/20 0.50
ULK1 O75385 1/20 0.50
IGF1R P08069 3/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
AXL P30530 1/20 0.47
APP P05067 1/20 0.47
KDR P35968 1/20 0.47
CDK1 P06493 3/20 0.47

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
SCHEMBL3458921 0.85 CDK1 (0.57) STK17ASTK17BMAPK1SYKULK1
SCHEMBL3344858 0.85 MAPK1 (0.57) STK17ASTK17BMAPK1SYKULK1
SCHEMBL3375644 0.83 STK17A (0.56) STK17ASTK17BMAPK1SYKULK1
SCHEMBL3448855 0.83 STK17A (0.62) STK17ASTK17BMAPK1AXL
SCHEMBL13310349 0.83 MAPK1 (0.54) STK17ASTK17BMAPK1SYKULK1
SCHEMBL656032 0.82 SYK (0.72) STK17ASTK17BMAPK1SYKULK1
SCHEMBL3447782 0.81 STK17A (0.52) STK17ASTK17BMAPK1ULK1CA2
SCHEMBL3448429 0.81 STK17A (0.60) STK17ASTK17BMAPK1
SCHEMBL3450081 0.81 STK17A (0.53) STK17ASTK17BMAPK1ULK1IGF1R
SCHEMBL3448261 0.81 STK17A (0.59) STK17ASTK17BMAPK1AXL

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 2 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
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 STK17A 1984/4885STK17B 2457/4885MAPK1 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.