SCHEMBL9102667

SCHEMBL9102667

CCCNc1nc(N)c2ccn(C(C)C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.45
CDK1 P06493 3/20 0.45
SLC2A1 P11166 3/20 0.40
ADORA2A P29274 7/20 0.38
ADORA1 P30542 7/20 0.38
ADORA2B P29275 5/20 0.38
ADORA3 P0DMS8 1/20 0.38
MERTK Q12866 1/20 0.38
TMIGD3 P0DMS9 6/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
DHFR P00374 1/20 0.37
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL9108364 0.84 LRRK2 (0.39) CDK2CDK1MERTKCA1CA2
SCHEMBL9105424 0.82 BCDIN3D (0.40) CDK2CDK1MERTKCSNK1DCLK2
SCHEMBL14266500 0.75 CDK1 (0.51) CDK2CDK1SLC2A1ADORA2AADORA1
SCHEMBL784138 0.73 CDK1 (0.36) CDK2CDK1SLC2A1ADORA2AADORA1
SCHEMBL24038281 0.68 APP (0.70) APPBCHEACHE
SCHEMBL9109085 0.68 CDK1 (0.41) CDK2CDK1ADORA2AADORA1ADORA2B
SCHEMBL23419416 0.67 CDK1 (0.40) CDK2CDK1SLC2A1DHFRCCNE1
SCHEMBL9104296 0.67 BCDIN3D (0.42) CDK2CDK1MERTKCA1CA2
SCHEMBL30544134 0.66 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3
SCHEMBL6364016 0.66 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS INC (US) 2016-09-08 US disclosed
US-9351972-B2 Compounds as respiratory stimulants for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2015-12-31 US disclosed
US-9162992-B2 Compounds and compositions for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2014-12-18 US disclosed
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-11-22 US disclosed
US-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-06-07 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-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases MTNR1B, CHRM3, ADRA2C CDK2 3432/4885CDK1 1887/4885SLC2A1 3351/4885
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases PER2, SMPD4, NDUFB5 CDK2 3314/4885CDK1 2409/4885SLC2A1 4226/4885
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, MTNR1B, NDUFB5 CDK2 3424/4885CDK1 2333/4885SLC2A1 4248/4885
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES P2RX5, HRH2, ADRA2C CDK2 1416/4885CDK1 938/4885SLC2A1 3253/4885
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, SMPD4, NDUFB5 CDK2 3314/4885CDK1 2409/4885SLC2A1 4226/4885

“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.