SCHEMBL7996780

SCHEMBL7996780

CC(C)Nc1nccnc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
LRRK2 Q5S007 13/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
RPS6KB1 P23443 1/20 0.37
GRM5 P41594 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
JAK2 O60674 1/20 0.35

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
SCHEMBL30610259 1.00 MAPK1 (0.42) MAPK1LRRK2MAPK8MAPK9RPS6KB1
SCHEMBL12411093 0.80 SCD (0.37) LRRK2GRM5
SCHEMBL12411098 0.79 CXCR2 (0.33) LRRK2GRM5
SCHEMBL15360306 0.79 MAP2K3 (0.39) RPS6KB1GRM5ADORA2AADORA1
SCHEMBL15110276 0.74 ALDH1A1 (0.59) MAPK8MAPK9RPS6KB1JAK2
SCHEMBL4779779 0.74 LRRK2 (0.48) LRRK2
SCHEMBL2492969 0.72 TSHR (0.48) GRM5ADORA2AADORA1
SCHEMBL3822146 0.71 KDM4E (0.39) ADORA2AJAK2
SCHEMBL28119175 0.71 ADORA3 (0.36) RPS6KB1ADORA2AADORA1
SCHEMBL31046830 0.71 ADORA3 (0.36) RPS6KB1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104080769-B Aryl or heteroaryl substituted benzene compounds EPIZYME股份有限公司 2017-06-20 CN disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
WO-2009143156-A2 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SEPRACOR INC. (US) 2009-11-26 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 (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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD MAPK1 4058/4885LRRK2 4215/4885MAPK8 3503/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD MAPK1 4058/4885LRRK2 4215/4885MAPK8 3503/4885

“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.