SCHEMBL3020115

SCHEMBL3020115

Cc1c(NC2CCC(N)CC2)nn2ccnc2c1Nc1ccc(C(=O)Nc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.42
KIT P10721 3/20 0.42
TTK P33981 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
MAPKAPK2 P49137 2/20 0.41
MAPK14 Q16539 1/20 0.40
MAPK8 P45983 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
BTK Q06187 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AURKA O14965 1/20 0.39
SYK P43405 2/20 0.38
EGFR P00533 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL3020113 1.00 FLT3 (0.42) FLT3KITTTKCCNE1CDK2
SCHEMBL3026215 0.92 ADORA3 (0.43) FLT3KITCCNE1CDK2MAPKAPK2
SCHEMBL3021971 0.92 ADORA3 (0.43) FLT3KITCCNE1CDK2MAPKAPK2
SCHEMBL3021965 0.92 ADORA3 (0.43) FLT3KITCCNE1CDK2MAPKAPK2
SCHEMBL3021799 0.90 FLT3 (0.40) FLT3KITTTKCCNE1CDK2
SCHEMBL3021801 0.90 FLT3 (0.40) FLT3KITTTKCCNE1CDK2
SCHEMBL3022042 0.89 FLT3 (0.45) FLT3KITCCNE1CDK2MAPKAPK2
SCHEMBL3022048 0.89 FLT3 (0.45) FLT3KITCCNE1CDK2MAPKAPK2
SCHEMBL3024265 0.89 MAPK8 (0.48) FLT3CCNE1CDK2MAPKAPK2MAPK8
SCHEMBL3010958 0.87 SYK (0.47) FLT3KITTTKCCNE1CDK2

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 FLT3 345/4885KIT 1567/4885TTK 49/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 FLT3 334/4885KIT 1525/4885TTK 63/4885

“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.