SCHEMBL3449063

SCHEMBL3449063

Fc1ccc(Nc2ncc(-c3cncnc3)c(-n3cnc(C(F)(F)F)c3)n2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
ULK1 O75385 1/20 0.41
CTSC P53634 2/20 0.41
STK17A Q9UEE5 3/20 0.39
STK17B O94768 2/20 0.39
GRM4 Q14833 1/20 0.38
SYK P43405 1/20 0.36
AXL P30530 2/20 0.36
CD38 P28907 1/20 0.35
APP P05067 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL3449066 0.91 MAPK1 (0.47) MAPK1ULK1CTSCSTK17ASTK17B
SCHEMBL3452230 0.87 XDH (0.40) ULK1SYKEGFR
SCHEMBL3449320 0.85 MAPK1 (0.42) MAPK1ULK1CTSCSTK17ASTK17B
SCHEMBL3450615 0.84 MAPK1 (0.46) MAPK1ULK1CTSCSTK17ASTK17B
SCHEMBL3449347 0.83 MAPK1 (0.47) MAPK1ULK1CTSCSTK17ASTK17B
SCHEMBL3449663 0.82 SYK (0.44) STK17ASYKAXLEGFR
SCHEMBL3451592 0.82 MAPK1 (0.41) MAPK1ULK1CTSCSTK17ASTK17B
SCHEMBL3448111 0.80 SYK (0.37) ULK1CTSCSYKEGFR
SCHEMBL3448103 0.80 SYK (0.37) ULK1CTSCSYKEGFR
SCHEMBL3448245 0.79 MAPK1 (0.47) MAPK1ULK1CTSCSTK17ASTK17B

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 MAPK1 2905/4885ULK1 2054/4885CTSC 1252/4885

“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.