SCHEMBL217669

SCHEMBL217669

CCC(CC)Nc1nc(N)ncc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.49
MAPK8 P45983 3/20 0.41
MAPK9 P45984 2/20 0.41
HSP90AA1 P07900 1/20 0.39
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL250477 0.87 SYK (0.44) SYKMAPK8MAPK9HSP90AA1HCAR3
SCHEMBL251803 0.87 SYK (0.44) SYKMAPK8MAPK9HSP90AA1HCAR3
SCHEMBL218371 0.87 SYK (0.44) SYKMAPK8MAPK9HSP90AA1HCAR3
SCHEMBL18855217 0.85 SYK (0.41) SYKMAPK8MAPK9HSP90AA1
SCHEMBL179508 0.83 KDM4E (0.43) SYKMAPK8MAPK9KDM4E
SCHEMBL179478 0.83 KDM4E (0.43) SYKMAPK8MAPK9KDM4E
SCHEMBL179479 0.83 KDM4E (0.43) SYKMAPK8MAPK9KDM4E
SCHEMBL15354453 0.83 MAPK8 (0.55) SYKMAPK8MAPK9
SCHEMBL217592 0.83 SYK (0.56) SYKMAPK8MAPK9
SCHEMBL179443 0.78 JAK2 (0.47) SYKMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 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 (5 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-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 SYK 444/4885MAPK8 182/4885MAPK9 202/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB SYK 292/4885MAPK8 210/4885MAPK9 270/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA SYK 533/4885MAPK8 173/4885MAPK9 138/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB SYK 292/4885MAPK8 210/4885MAPK9 270/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SYK 475/4885MAPK8 371/4885MAPK9 459/4885

“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.