SCHEMBL3530853

SCHEMBL3530853

Nc1cc(Nc2ccc(C(=O)N3CCCC3)cc2)c2nc([C@H]3CCCNC3)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.40
CHEK1 O14757 5/20 0.40
ACP1 P24666 2/20 0.39
TYK2 P29597 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
ADORA2A P29274 3/20 0.38
CDK2AP1 O14519 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
PRKCI P41743 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3012057 0.86 ADORA2A (0.40) TYK2JAK2JAK1JAK3ADORA2A
SCHEMBL3022043 0.85 MEN1 (0.41) BTKTYK2JAK2JAK1JAK3
SCHEMBL3531518 0.81 MAP3K12 (0.42) CHEK1CCNA2CDK2CCNA1
SCHEMBL3013419 0.79 BTK (0.44) BTKTYK2JAK2JAK1JAK3
SCHEMBL3533740 0.79 BTK (0.44) BTKTYK2JAK2JAK1JAK3
SCHEMBL3017869 0.77 CA12 (0.42) BTKJAK1MEN1KMT2AL3MBTL3
SCHEMBL3527086 0.76 NPC1 (0.44) JAK2JAK1
SCHEMBL3530855 0.71 BTK (0.42) BTKCHEK1JAK1CDK2AP1PRKCI
SCHEMBL3017898 0.71 CDK2 (0.51) BTKCHEK1JAK2JAK1CDK2AP1
SCHEMBL3528785 0.69 CDK2 (0.36) TYK2JAK2JAK3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 BTK 316/4885CHEK1 210/4885ACP1 581/4885

“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.