SCHEMBL13703136

SCHEMBL13703136

Cc1cnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.56
BTK Q06187 2/20 0.56
CKS1B P61024 1/20 0.55
SKP1 P63208 1/20 0.55
SKP2 Q13309 1/20 0.55
SYK P43405 2/20 0.51
MAP4K4 O95819 2/20 0.50
PDE10A Q9Y233 2/20 0.50
CTSK P43235 2/20 0.49
SUV39H2 Q9H5I1 5/20 0.48
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL13703137 1.00 JAK3 (0.56) JAK3BTKCKS1BSKP1SKP2
SCHEMBL13703442 1.00 JAK3 (0.56) JAK3BTKCKS1BSKP1SKP2
SCHEMBL23497780 0.93 BTK (0.64) JAK3BTKCKS1BSKP1SKP2
SCHEMBL29932659 0.93 BTK (0.64) JAK3BTKCKS1BSKP1SKP2
SCHEMBL30665075 0.86 JAK3 (0.52) JAK3BTKCKS1BSKP1SKP2
SCHEMBL24817207 0.86 JAK3 (0.52) JAK3BTKCKS1BSKP1SKP2
SCHEMBL18228085 0.85 GPR119 (0.58) JAK3BTKCKS1BSKP1SKP2
SCHEMBL18228358 0.85 GPR119 (0.58) JAK3BTKCKS1BSKP1SKP2
SCHEMBL529863 0.84 MAP4K4 (0.58) JAK3BTKCKS1BSKP1SKP2
SCHEMBL594137 0.84 MAP4K4 (0.58) JAK3BTKCKS1BSKP1SKP2

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-20090221611-A1 Fused Triazole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-09-03 US disclosed
US-20090221611-A1 Fused Triazole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-09-03 US disclosed
WO-2007081897-A2 FUSED TRIAZOLE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-07-19 WO 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-20090221611-A1 Fused Triazole Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 JAK3 1097/4885BTK 4490/4885CKS1B 865/4885

“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.