SCHEMBL3450862

SCHEMBL3450862

CN(C)CCCNc1nc(N)nc(-c2ccc(F)c(Cl)c2)c1-c1cn[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.36
AKT1 P31749 2/20 0.36
RET P07949 1/20 0.36
KIF5B P33176 1/20 0.36
POLB P06746 1/20 0.36
FLT3 P36888 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ILK Q13418 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
STK17A Q9UEE5 2/20 0.35
STK17B O94768 1/20 0.34

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
SCHEMBL3449757 0.87 STK17A (0.42) RETKIF5BPOLBFLT3ADORA2A
SCHEMBL3451732 0.87 RET (0.39) RETKIF5BPOLBFLT3ADORA2A
SCHEMBL3447677 0.86 MAP4K4 (0.40) RETKIF5BPOLBFLT3ADORA2A
SCHEMBL3449074 0.85 FLT3 (0.44) RETKIF5BPOLBFLT3ADORA2A
SCHEMBL3450353 0.85 RET (0.40) RETKIF5BPOLBFLT3ADORA2A
SCHEMBL3449219 0.84 KCNH2 (0.46) RETKIF5BPOLBFLT3ADORA2A
SCHEMBL3449785 0.84 ADORA2A (0.40) RETKIF5BPOLBFLT3ADORA2A
SCHEMBL3450369 0.83 RET (0.42) RETKIF5BPOLBFLT3ADORA2A
SCHEMBL3449257 0.83 ADORA2A (0.41) RETKIF5BPOLBFLT3ADORA2A
SCHEMBL3448668 0.82 CDK1 (0.41) RETKIF5BPOLBFLT3ADORA2A

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 ROCK2 4464/4885AKT1 3483/4885RET 3445/4885

“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.