SCHEMBL1484596

SCHEMBL1484596

N#Cc1ccc2cc(-c3cnc4[nH]ccc4c3)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.64
CDK5 Q00535 4/20 0.48
CDK5R1 Q15078 3/20 0.48
CDK8 P49336 3/20 0.46
AXL P30530 2/20 0.46
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
ITK Q08881 3/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
PDPK1 O15530 1/20 0.45
DYRK3 O43781 1/20 0.45
JAK2 O60674 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
INSR P06213 1/20 0.45
FYN P06241 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
SCHEMBL1484205 0.90 RIPK1 (0.64) RIPK1CDK5CDK5R1CDK8AXL
SCHEMBL1484236 0.83 CDK8 (0.49) RIPK1CDK5CDK8AXLITK
SCHEMBL13577845 0.81 CDK8 (0.49) RIPK1CDK5CDK8AXLITK
SCHEMBL1484606 0.81 CDK8 (0.49) RIPK1CDK5CDK8AXLITK
SCHEMBL31065011 0.78 RIPK1 (1.00) RIPK1CDK5CDK8AXLITK
SCHEMBL31195864 0.78 CDK5 (0.50) CDK5CDK5R1IMPDH2IMPDH1ITK
SCHEMBL1484047 0.78 KDR (0.51) RIPK1CDK5CDK5R1CDK8AXL
SCHEMBL24067664 0.76 PIK3CD (0.60) RIPK1CDK5CDK8AXLITK
SCHEMBL14783606 0.76 CDK5 (0.54) RIPK1CDK5CDK5R1ITKCDK1
SCHEMBL1483987 0.75 CDK5 (0.51) RIPK1CDK5CDK5R1ITKCDK1

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-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US claimed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 US disclosed
US-20110076230-A1 Novel Substituted Indoles MERCK & CO. INC. 2011-03-31 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-20110076230-A1 Novel Substituted Indoles APP, BACE1, PSEN1 RIPK1 2958/4885CDK5 772/4885CDK5R1 1209/4885

“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.