SCHEMBL1590586

SCHEMBL1590586

CN1CCC(N(C)c2nc(N)c3nc(-c4ccc(S(C)(=O)=O)cc4)n(-c4cscn4)c3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.36
PIK3CD O00329 2/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
NMT1 P30419 2/20 0.33
MCHR1 Q99705 1/20 0.32
ATR Q13535 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
LRRK2 Q5S007 1/20 0.31
SCN1A P35498 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
MAP4K4 O95819 1/20 0.30

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
SCHEMBL1591585 0.90 GPR119 (0.33) GPR119ATR
SCHEMBL1590827 0.77 JAK2 (0.37) ATRJAK2
SCHEMBL4444408 0.74 AXL (0.36) GPR119NMT1JAK2JAK3
SCHEMBL1591715 0.70 JAK2 (0.49) ATRJAK2
SCHEMBL1591977 0.64 JAK2 (0.37) ATRJAK2
SCHEMBL1590653 0.61 LMNA (0.40) NMT1JAK2JAK1
SCHEMBL6015418 0.61 FLT3 (0.37) NMT1
SCHEMBL6208888 0.60 NMT1 (0.45) NMT1MAP4K4
SCHEMBL3596341 0.59 CSNK1D (0.40)
SCHEMBL6231142 0.56 MAP4K4 (0.41) NMT1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 US claimed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US claimed
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP claimed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO claimed
EP-1656378-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF RECEPTOR TYROSINE KINASE ACTIVITY IRM LLC (BM) 2006-05-17 EP claimed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US claimed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 WO claimed
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 US disclosed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
EP-1656378-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF RECEPTOR TYROSINE KINASE ACTIVITY IRM LLC (BM) 2006-05-17 EP disclosed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US disclosed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 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 (3 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-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity BMX, LCK, FYN GPR119 453/4885PIK3CD 145/4885HTR2A 2728/4885
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK GPR119 1115/4885PIK3CD 81/4885HTR2A 3377/4885
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN GPR119 453/4885PIK3CD 145/4885HTR2A 2728/4885

“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.