SCHEMBL3019918

SCHEMBL3019918

Cc1ccnc(Nc2c3nccn3nc(N)c2[C@H]2CC[C@@H](N)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 3/20 0.38
DPP4 P27487 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE5A O76074 2/20 0.34
MAP3K12 Q12852 4/20 0.33
LRRK2 Q5S007 1/20 0.32
JAK2 O60674 2/20 0.31
JAK3 P52333 2/20 0.31
PAK4 O96013 3/20 0.31
PAK1 Q13153 3/20 0.31
GAA P10253 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL3022061 1.00 KARS1 (0.38) KARS1DPP4CCNE1CDK2FLT3
SCHEMBL3009254 0.87 SMYD3 (0.40) CCNE1CDK2FLT3MAP3K12LRRK2
SCHEMBL3012053 0.87 CCNE1 (0.33) CCNE1CDK2FLT3
SCHEMBL3021946 0.87 CCNE1 (0.33) CCNE1CDK2FLT3
SCHEMBL3023453 0.86 RAPGEF4 (0.39) CCNE1CDK2FLT3KDM4EALDH1A1
SCHEMBL3025244 0.86 RAPGEF4 (0.36) DPP4CCNE1CDK2FLT3ALDH1A1
SCHEMBL3024875 0.86 LYN (0.36) CCNE1CDK2FLT3LRRK2
SCHEMBL3019259 0.86 LYN (0.36) CCNE1CDK2FLT3LRRK2
SCHEMBL3023975 0.85 EGFR (0.40) CCNE1CDK2FLT3ALDH1A1
SCHEMBL3026222 0.84 GABRG2 (0.36) CCNE1CDK2FLT3ALDH1A1JAK2

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 KARS1 1514/4885DPP4 4226/4885CCNE1 468/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 KARS1 1588/4885DPP4 4259/4885CCNE1 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.