SCHEMBL3449444

SCHEMBL3449444

Nc1ncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2nnc3ccccc32)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
STK17A Q9UEE5 2/20 0.43
STK17B O94768 1/20 0.43
MKNK2 Q9HBH9 1/20 0.41
GRM4 Q14833 1/20 0.39
EGFR P00533 4/20 0.38
KDR P35968 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK2A1 P68400 1/20 0.37
PTK6 Q13882 1/20 0.37
GRM2 Q14416 1/20 0.37
SOS1 Q07889 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GRM1 Q13255 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL3449434 0.91 MKNK2 (0.43) MAPK1STK17ASTK17BMKNK2GRM4
SCHEMBL3450349 0.88 MAPK1 (0.44) MAPK1STK17ASTK17BGRM4EGFR
SCHEMBL3450340 0.84 CSNK2A1 (0.42) MKNK2ABCG2CSNK2A1
SCHEMBL3448165 0.81 AURKA (0.46) MKNK2EGFRABCG2CSNK1A1CSNK2A1
SCHEMBL3448169 0.81 AURKA (0.46) MKNK2EGFRABCG2CSNK1A1CSNK2A1
SCHEMBL3449350 0.81 MAPK1 (0.53) MAPK1STK17ASTK17BEGFRKDR
SCHEMBL3450048 0.80 RXFP1 (0.40) MAPK1MKNK2EGFRCSNK2A1RXFP1
SCHEMBL3450701 0.79 KCNN3 (0.51) MAPK1STK17ASTK17BEGFRKDR
SCHEMBL3448249 0.79 MAPK1 (0.53) MAPK1STK17ASTK17BEGFRKDR
SCHEMBL3450344 0.79 MAPK1 (0.40) MAPK1STK17ASTK17BGRM4EGFR

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 1 patent. 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

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 2905/4885STK17A 1984/4885STK17B 2457/4885

“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.