SCHEMBL6450183

SCHEMBL6450183

O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(NC(=O)n2ccc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc32)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.52
BCR P11274 7/20 0.52
KCNH2 Q12809 1/20 0.49
SCN9A Q15858 1/20 0.48
BRAF P15056 2/20 0.47
MAPK14 Q16539 1/20 0.46
RAF1 P04049 2/20 0.46
JAK2 O60674 1/20 0.45
BTK Q06187 1/20 0.43

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
SCHEMBL6450306 0.90 BTK (0.54) SCN9ABRAFMAPK14RAF1BTK
SCHEMBL6454154 0.88 BRAF (0.52) BRAFRAF1BTK
SCHEMBL6461342 0.86 EGFR (0.51) MAPK14
SCHEMBL6454592 0.83 MAPT (0.52) BTK
SCHEMBL6454347 0.82 MAPT (0.49) RAF1
SCHEMBL5863233 0.74 HDAC8 (0.62) ABL1KCNH2
SCHEMBL5031557 0.73 MAPT (0.56)
SCHEMBL4884795 0.72 MAPT (0.61) MAPK14BTK
SCHEMBL4414154 0.72 ABL1 (0.71) ABL1BCR
SCHEMBL4884549 0.71 MAPT (0.68) ABL1BCR

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-20050159391-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-21 US claimed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US disclosed
US-20050159391-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-07-21 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 (2 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-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS LCK, FYN, BMX ABL1 53/4885BCR 64/4885KCNH2 3648/4885
US-20050159391-A1 Compounds and compositions as protein kinase inhibitors LCK, FYN, BMX ABL1 53/4885BCR 64/4885KCNH2 3648/4885

“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.