SCHEMBL805583

SCHEMBL805583

Cc1cc2nccnc2c(NC(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.36
NR4A2 P43354 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 5/20 0.34
AURKB Q96GD4 3/20 0.34
KCNH2 Q12809 2/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
AURKA O14965 1/20 0.34
JAK1 P23458 1/20 0.34
KDR P35968 1/20 0.34
MAP4K4 O95819 1/20 0.33
GLP1R P43220 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL802017 0.81 LMNA (0.36) LRRK2LMNAHTTSMN1; SMN2SYK
SCHEMBL13107392 0.80 SYK (0.36) LRRK2LMNAHTTSYKAURKB
SCHEMBL10266506 0.77 CCR1 (0.46) NR4A2LMNAHTTSMN1; SMN2KCNH2
SCHEMBL12653335 0.76 APP (0.49) NR4A2LMNAHTTSMN1; SMN2SYK
SCHEMBL24995615 0.73
SCHEMBL15679451 0.71 ALDH1A1 (0.32) LRRK2SYKAURKBKCNH2AURKA
SCHEMBL10266757 0.70 LMNA (0.39) LRRK2LMNAHTTSMN1; SMN2JAK1
SCHEMBL10266758 0.70 SYK (0.33) NR4A2LMNAHTTSMN1; SMN2SYK
SCHEMBL10266750 0.70 TLR8 (0.50) LRRK2LMNAHTTSMN1; SMN2TLR8
SCHEMBL805582 0.69 NR4A2 (0.44) NR4A2LMNATLR8TLR7L3MBTL1

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-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-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 LRRK2 317/4885NR4A2 2610/4885LMNA 3063/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A LRRK2 315/4885NR4A2 2020/4885LMNA 4218/4885

“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.