SCHEMBL6450306

SCHEMBL6450306

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.54
RAF1 P04049 6/20 0.48
BRAF P15056 5/20 0.48
EPHX2 P34913 2/20 0.47
SCN9A Q15858 1/20 0.46
KDR P35968 2/20 0.46
CSF1R P07333 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK14 Q16539 1/20 0.46
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL6454154 0.95 BRAF (0.52) BTKRAF1BRAFLMNA
SCHEMBL6454592 0.93 MAPT (0.52) BTKKDRMAPTSTAT3SMN1; SMN2
SCHEMBL6450183 0.90 ABL1 (0.52) BTKRAF1BRAFSCN9AMAPK14
SCHEMBL6461342 0.88 EGFR (0.51) EPHX2MAPK14MAPTSMN1; SMN2
SCHEMBL6454347 0.84 MAPT (0.49) RAF1EPHX2MAPTSMN1; SMN2
SCHEMBL5031557 0.77 MAPT (0.56) MAPTSMN1; SMN2LMNA
SCHEMBL6454372 0.74 CSF1R (0.55) RAF1BRAFKDRCSF1RMAPK14
SCHEMBL4699433 0.73 MAPK14 (0.58) RAF1BRAFCSF1RMAPK14
SCHEMBL6461376 0.73 CSF1R (0.54) RAF1BRAFKDRCSF1R
SCHEMBL6455326 0.73 PIP4K2A (0.55) BRAFCSF1RMAPK14

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 BTK 19/4885RAF1 6/4885BRAF 7/4885
US-20050159391-A1 Compounds and compositions as protein kinase inhibitors LCK, FYN, BMX BTK 19/4885RAF1 6/4885BRAF 7/4885

“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.