SCHEMBL3010959

SCHEMBL3010959

Cc1c(NC2CCC(N)CC2)nn2ccnc2c1Nc1ccc(C(=O)NC2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
CDK2 P24941 5/20 0.44
MAPKAPK2 P49137 2/20 0.44
FLT3 P36888 5/20 0.44
CCNE1 P24864 1/20 0.44
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMYD3 Q9H7B4 3/20 0.42
KIT P10721 1/20 0.42
MAPK14 Q16539 2/20 0.42
BTK Q06187 1/20 0.42
PDGFRA P16234 3/20 0.41
TTK P33981 1/20 0.40
MAOA P21397 1/20 0.39

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
SCHEMBL3010958 1.00 SYK (0.47) SYKAURKAAURKBCDK2MAPKAPK2
SCHEMBL3022048 0.88 FLT3 (0.45) SYKAURKACDK2MAPKAPK2FLT3
SCHEMBL3022042 0.88 FLT3 (0.45) SYKAURKACDK2MAPKAPK2FLT3
SCHEMBL3018019 0.87 FLT3 (0.47) SYKCDK2MAPKAPK2FLT3CCNE1
SCHEMBL3020113 0.87 FLT3 (0.42) SYKAURKAAURKBCDK2MAPKAPK2
SCHEMBL3020115 0.87 FLT3 (0.42) SYKAURKAAURKBCDK2MAPKAPK2
SCHEMBL3024711 0.82 CCNE1 (0.65) SYKCDK2FLT3CCNE1SMYD3
SCHEMBL3024713 0.82 CCNE1 (0.65) SYKCDK2FLT3CCNE1SMYD3
SCHEMBL3026215 0.82 ADORA3 (0.43) AURKACDK2MAPKAPK2FLT3CCNE1
SCHEMBL3021971 0.82 ADORA3 (0.43) AURKACDK2MAPKAPK2FLT3CCNE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (2 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 SYK 781/4885AURKA 202/4885AURKB 227/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 SYK 701/4885AURKA 288/4885AURKB 345/4885

“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.