SCHEMBL3018019

SCHEMBL3018019

Cc1c(N[C@H]2CC[C@@H](N)CC2)nn2ccnc2c1Nc1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.47
CDK2 P24941 2/20 0.47
CCNE1 P24864 1/20 0.47
SYK P43405 3/20 0.44
BTK Q06187 4/20 0.43
GRM5 P41594 2/20 0.41
MAPKAPK2 P49137 1/20 0.41
PAK1 Q13153 1/20 0.39
HPGD P15428 2/20 0.39
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
JAK3 P52333 1/20 0.38
PDGFRA P16234 1/20 0.38
KIT P10721 2/20 0.38
CES2 O00748 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL9004596 0.91 BTK (0.49) FLT3CDK2CCNE1SYKBTK
SCHEMBL3022042 0.87 FLT3 (0.45) FLT3CDK2CCNE1SYKMAPKAPK2
SCHEMBL3022048 0.87 FLT3 (0.45) FLT3CDK2CCNE1SYKMAPKAPK2
SCHEMBL3010958 0.87 SYK (0.47) FLT3CDK2CCNE1SYKBTK
SCHEMBL3010959 0.87 SYK (0.47) FLT3CDK2CCNE1SYKBTK
SCHEMBL3020115 0.82 FLT3 (0.42) FLT3CDK2CCNE1SYKBTK
SCHEMBL3010145 0.82 CCNE1 (0.69) FLT3CDK2CCNE1KIT
SCHEMBL3020113 0.82 FLT3 (0.42) FLT3CDK2CCNE1SYKBTK
SCHEMBL3022046 0.81 CCNE1 (0.40) FLT3CDK2CCNE1BTKGRM5
SCHEMBL4708842 0.81 CCNE1 (0.70) FLT3CDK2CCNE1KIT

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 345/4885CDK2 40/4885CCNE1 468/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 FLT3 334/4885CDK2 67/4885CCNE1 538/4885

“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.