SCHEMBL3448668

SCHEMBL3448668

CN(C)CCCNc1nc(N)nc(-c2ccc(F)c(Cl)c2)c1-c1ccc2cc[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.41
KDR P35968 2/20 0.41
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
POLB P06746 1/20 0.35
FLT3 P36888 3/20 0.35
MAP4K4 O95819 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
TLR8 Q9NR97 2/20 0.33
ILK Q13418 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
NR4A2 P43354 1/20 0.33
CALCA P06881 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32

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 0.84 STK17A (0.42) KDRADORA2AADORA1POLBFLT3
SCHEMBL3447677 0.83 MAP4K4 (0.40) KDRADORA2AADORA1POLBFLT3
SCHEMBL3450862 0.82 ROCK2 (0.36) ADORA2AADORA1POLBFLT3MAP4K4
SCHEMBL3449074 0.82 FLT3 (0.44) ADORA2AADORA1POLBFLT3MAP4K4
SCHEMBL3449257 0.82 ADORA2A (0.41) ADORA2AADORA1POLBFLT3ILK
SCHEMBL3450353 0.81 RET (0.40) ADORA2AADORA1POLBFLT3MAP4K4
SCHEMBL3449785 0.81 ADORA2A (0.40) KDRADORA2AADORA1POLBFLT3
SCHEMBL3450369 0.80 RET (0.42) ADORA2AADORA1POLBFLT3MAP4K4
SCHEMBL3451732 0.80 RET (0.39) ADORA2AADORA1POLBFLT3MAP4K4
SCHEMBL3449219 0.79 KCNH2 (0.46) ADORA2AADORA1POLBFLT3MAP4K4

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 CDK1 1871/4885KDR 4837/4885ADORA2A 2340/4885

“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.