SCHEMBL3100773

SCHEMBL3100773

Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c(S(C)(=O)=O)c2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.64
BCR P11274 11/20 0.64
PDGFRA P16234 11/20 0.64
PDGFRB P09619 8/20 0.64
KIT P10721 11/20 0.63
RAD52 P43351 1/20 0.63
EGFR P00533 2/20 0.63
PRKCA P17252 1/20 0.63
KDR P35968 3/20 0.61
PLK4 O00444 1/20 0.60
DDX3X O00571 1/20 0.60
GAK O14976 1/20 0.60
SLC22A2 O15244 1/20 0.60
MAPK13 O15264 1/20 0.60
CA12 O43570 1/20 0.60
SLC22A3 O75751 1/20 0.60
ABCB11 O95342 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL5223561 0.87 ABL1 (0.73) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL3104783 0.87 ABL1 (0.77) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL27803461 0.86 ABL1 (0.62) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL3218969 0.86 ABL1 (0.71) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL1653890 0.86 ABL1 (0.69) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL3104728 0.85 ABL1 (0.76) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL3102383 0.84 KIT (0.76) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL13492316 0.84 ABL1 (0.68) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL3099866 0.84 ABL1 (0.74) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL3097525 0.83 ABL1 (0.71) ABL1BCRPDGFRAPDGFRBKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338417-B2 Compounds and compositions as c-kit and PDGFR kinase inhibitors IRM LLC (BM) 2012-12-25 US claimed
US-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-09-16 US claimed
EP-2152688-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-02-17 EP claimed
WO-2008137794-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2008-11-13 WO claimed
US-8338417-B2 Compounds and compositions as c-kit and PDGFR kinase inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8338417-B2 Compounds and compositions as c-kit and PDGFR kinase inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8338417-B2 Compounds and compositions as c-kit and PDGFR kinase inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-09-16 US disclosed
US-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-09-16 US disclosed
US-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-09-16 US disclosed
EP-2152688-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-02-17 EP disclosed
WO-2008137794-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2008-11-13 WO disclosed
WO-2008137794-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2008-11-13 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 (1 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-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS KIT, PDGFRA, PDGFRB ABL1 10/4885BCR 95/4885PDGFRA 2/4885

“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.