SCHEMBL5044074

SCHEMBL5044074

CN(C)Cc1ccc(-n2nc(C(C)(C)C)cc2C(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.51
SORT1 Q99523 3/20 0.51
PARP1 P09874 3/20 0.46
PARP2 Q9UGN5 3/20 0.46
CDK8 P49336 2/20 0.46
PARP3 Q9Y6F1 2/20 0.44
MAPK14 Q16539 6/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AURKA O14965 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
LTK P29376 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK2 P49760 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL2725769 0.87 GRN (0.51) GRNSORT1MAPK14MAPK13MAPK12
SCHEMBL1600416 0.83 CDK8 (0.64) GRNSORT1CDK8MAPK14ALDH1A1
SCHEMBL28706544 0.82 CDK8 (0.44) GRNSORT1PARP1PARP2CDK8
SCHEMBL2788301 0.81 GRN (0.58) GRNSORT1CDK8MAPK14ALDH1A1
SCHEMBL1408365 0.80 POLB (0.41) GRNSORT1PARP1PARP2CDK8
SCHEMBL2706726 0.80 GRN (0.57) GRNSORT1CDK8MAPK14ALDH1A1
SCHEMBL4718807 0.80 GRN (0.78) GRNSORT1CDK8MAPK14ALDH1A1
SCHEMBL2707729 0.78 GRN (0.55) GRNSORT1CDK8MAPK14ALDH1A1
SCHEMBL2788538 0.78 MAPK14 (0.55) GRNSORT1CDK8MAPK14ALDH1A1
SCHEMBL2724155 0.78 PARP1 (0.48) GRNSORT1PARP1PARP2CDK8

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-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US claimed
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 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-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 GRN 2663/4885SORT1 4864/4885PARP1 951/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 GRN 2479/4885SORT1 4871/4885PARP1 920/4885

“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.