SCHEMBL1591541

SCHEMBL1591541

CS(=O)(=O)c1ccc(Nc2nc(N3CCC(N4CCOCC4)CC3)nc3c2ncn3C2CCCCO2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.68
PDGFRA P16234 1/20 0.48
JAK3 P52333 2/20 0.45
PTK2 Q05397 2/20 0.45
YTHDC1 Q96MU7 1/20 0.43
ABL1 P00519 1/20 0.40
JAK2 O60674 1/20 0.40
CYP3A4 P08684 1/20 0.40
SCTR P47872 1/20 0.40
SMO Q99835 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL12703837 0.84 FLT3 (0.62) FLT3PDGFRAYTHDC1ABL1
SCHEMBL1590849 0.82 FLT3 (0.56) FLT3YTHDC1
SCHEMBL30677295 0.80 FLT3 (0.81) FLT3PDGFRAYTHDC1ABL1SCTR
SCHEMBL1591130 0.80 CSNK1D (0.45) FLT3PDGFRAJAK3PTK2ABL1
SCHEMBL14249304 0.75 FLT3 (0.48) FLT3YTHDC1PTGS2
SCHEMBL12703920 0.74 FLT3 (0.57) FLT3PTK2YTHDC1JAK2
SCHEMBL4444105 0.72 FLT3 (0.63) FLT3PDGFRAYTHDC1
SCHEMBL1591184 0.72 FLT3 (0.62) FLT3PDGFRAYTHDC1PTGS2
SCHEMBL1298568 0.72 SYK (0.54) JAK3PTK2ABL1JAK2PTGS2
SCHEMBL1590587 0.71 CSNK1D (0.51) FLT3PDGFRAJAK3PTK2ABL1

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-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-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO 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 FLT3 5/4885PDGFRA 35/4885JAK3 181/4885
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK FLT3 317/4885PDGFRA 1321/4885JAK3 473/4885
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN FLT3 5/4885PDGFRA 35/4885JAK3 181/4885

“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.