SCHEMBL805582

SCHEMBL805582

Cc1cc(NC(C)C)c2nccnc2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.44
IDO1 P14902 1/20 0.36
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ADORA2A P29274 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL802309 0.81 IDO1 (0.36) NR4A2IDO1ADORA2AHSP90AA1HSP90AB1
SCHEMBL13107391 0.80 NOS3 (0.35) ADORA2AALDH1A1
SCHEMBL13107487 0.76 NR4A2 (0.48) NR4A2IDO1TLR8TLR7ALDH1A1
SCHEMBL13107475 0.76 NR4A2 (0.55) NR4A2IDO1L3MBTL1LMNANPSR1
SCHEMBL10266757 0.70 LMNA (0.39) IDO1ADORA2AL3MBTL1LMNATRPM8
SCHEMBL802018 0.69 JAK2 (0.34) IDO1ADORA2ALMNA
SCHEMBL805583 0.69 LRRK2 (0.36) NR4A2TLR8TLR7ALDH1A1L3MBTL1
SCHEMBL12653931 0.69 NR4A2 (0.44) NR4A2TLR9TLR8TLR7
SCHEMBL10266753 0.69 NR4A2 (0.41) NR4A2L3MBTL1
SCHEMBL24174999 0.68 ADORA2A (0.45) NR4A2ADORA2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 NR4A2 2610/4885IDO1 982/4885TLR9 3982/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A NR4A2 2020/4885IDO1 941/4885TLR9 4866/4885

“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.