SCHEMBL5028517

SCHEMBL5028517

CC(=O)OCc1cccc(Nc2ncnc3c2ccn3C(=O)N(C)c2cccc(NC(=O)c3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.48
BRAF P15056 4/20 0.48
NTRK1 P04629 2/20 0.44
SRC P12931 2/20 0.44
AURKA O14965 1/20 0.44
NTRK2 Q16620 1/20 0.44
NR2E1 Q9Y466 7/20 0.42
ABL1 P00519 4/20 0.41
BCR P11274 2/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
HCK P08631 1/20 0.41
PDGFRA P16234 1/20 0.41
FRK P42685 1/20 0.41
CSF1R P07333 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5028513 0.87 KDM4E (0.53) RAF1BRAFNTRK1SRCAURKA
SCHEMBL14189594 0.83 RAF1 (0.53) RAF1BRAFNTRK1SRCAURKA
SCHEMBL6455001 0.82 RAF1 (0.46) RAF1BRAFNTRK1SRCAURKA
SCHEMBL6455040 0.80 KDM4E (0.55) RAF1BRAFNTRK1SRCAURKA
SCHEMBL6456519 0.80 RAF1 (0.47) RAF1BRAFNTRK1SRCAURKA
SCHEMBL6450370 0.79 KDM4E (0.55) RAF1BRAFNTRK1SRCAURKA
SCHEMBL6450014 0.77 KDM4E (0.57) RAF1BRAFNTRK1SRCAURKA
SCHEMBL6451135 0.76 KDM4E (0.58) RAF1BRAFNTRK1SRCAURKA
SCHEMBL6455329 0.76 KDM4E (0.56) RAF1BRAFNTRK1SRCAURKA
SCHEMBL14216517 0.75 KDM4E (0.57) RAF1BRAFNTRK1SRCAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US claimed
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-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 RAF1 6/4885BRAF 7/4885NTRK1 124/4885
US-20050159391-A1 Compounds and compositions as protein kinase inhibitors LCK, FYN, BMX RAF1 6/4885BRAF 7/4885NTRK1 124/4885

“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.