SCHEMBL3530855

SCHEMBL3530855

Nc1nn2ccnc2c(Nc2ccc(C(=O)N3CCCC3)cc2)c1[C@@H]1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.42
GRM5 P41594 7/20 0.37
CDK2AP1 O14519 1/20 0.36
CHEK1 O14757 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
JAK1 P23458 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL3012061 0.86 CCNE1 (0.41) BTKGRM5L3MBTL3L3MBTL1
SCHEMBL3022046 0.85 CCNE1 (0.40) BTKGRM5L3MBTL3L3MBTL1
SCHEMBL3531519 0.81 MAP3K12 (0.38) BTK
SCHEMBL3533744 0.79 KIT (0.43) BTKJAK1
SCHEMBL3013421 0.79 KIT (0.43) BTKJAK1
SCHEMBL3017870 0.77 CA12 (0.42) BTKJAK1
SCHEMBL3017898 0.76 CDK2 (0.51) BTKCDK2AP1CHEK1JAK1PRKCI
SCHEMBL3027662 0.76 NPC1 (0.44) BTKJAK1
SCHEMBL3530853 0.71 BTK (0.40) BTKCDK2AP1CHEK1L3MBTL3L3MBTL1
SCHEMBL14078208 0.71 BTK (0.53) BTK

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 316/4885GRM5 1164/4885CDK2AP1 266/4885

“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.