SCHEMBL3449757

SCHEMBL3449757

CN(C)CCCNc1nc(N)nc(-c2ccc(F)c(Cl)c2)c1-c1cnc(N)nc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 3/20 0.42
STK17B O94768 2/20 0.42
MAP4K4 O95819 1/20 0.39
POLB P06746 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
FLT3 P36888 3/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
KDR P35968 1/20 0.36
RET P07949 1/20 0.36
KIF5B P33176 1/20 0.36
TLR8 Q9NR97 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL3451732 0.92 RET (0.39) STK17ASTK17BMAP4K4POLBADORA2A
SCHEMBL3447677 0.91 MAP4K4 (0.40) STK17ASTK17BMAP4K4POLBADORA2A
SCHEMBL3449219 0.89 KCNH2 (0.46) STK17ASTK17BMAP4K4POLBADORA2A
SCHEMBL3449785 0.87 ADORA2A (0.40) STK17ASTK17BMAP4K4POLBADORA2A
SCHEMBL3450862 0.87 ROCK2 (0.36) STK17ASTK17BMAP4K4POLBADORA2A
SCHEMBL3449074 0.87 FLT3 (0.44) MAP4K4POLBADORA2AADORA1FLT3
SCHEMBL3450353 0.86 RET (0.40) MAP4K4POLBADORA2AADORA1FLT3
SCHEMBL3449748 0.85 RPS6KA3 (0.40) STK17ASTK17BMAP4K4POLBADORA2A
SCHEMBL3449767 0.85 ADORA2A (0.39) STK17ASTK17BMAP4K4ADORA2AADORA1
SCHEMBL3450369 0.84 RET (0.42) MAP4K4POLBADORA2AADORA1FLT3

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 STK17A 1984/4885STK17B 2457/4885MAP4K4 3478/4885

“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.