SCHEMBL3589929

SCHEMBL3589929

CCOc1cc(C(=O)Nc2ccc(C)c(Nc3cc(C)nn3-c3cc(NC)ncn3)c2)cc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.43
LYN P07948 15/20 0.43
SRC P12931 15/20 0.43
KDR P35968 15/20 0.43
HCK P08631 14/20 0.43
INSR P06213 13/20 0.42
BRAF P15056 3/20 0.42
RAF1 P04049 1/20 0.42
MAP3K7 O43318 1/20 0.42
FES P07332 1/20 0.42
FER P16591 1/20 0.42
GCK P35557 1/20 0.42
NR2C2 P49116 1/20 0.42
MAP4K2 Q12851 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL3584426 0.93 LCK (0.47) LCKLYNSRCKDRHCK
SCHEMBL3583110 0.90 BRAF (0.46) LCKLYNSRCKDRHCK
SCHEMBL3586592 0.86 LCK (0.53) LCKLYNSRCKDRHCK
SCHEMBL3580377 0.86 LCK (0.44) LCKLYNSRCKDRHCK
SCHEMBL3596608 0.84 LCK (0.49) LCKLYNSRCKDRHCK
SCHEMBL3591858 0.83 LCK (0.45) LCKLYNSRCKDRHCK
SCHEMBL3582783 0.83 LCK (0.46) LCKLYNSRCKDRHCK
SCHEMBL3583992 0.83 BRAF (0.46) LCKLYNSRCKDRHCK
SCHEMBL3577332 0.83 LCK (0.56) LCKLYNSRCKDRHCK
SCHEMBL3589163 0.82 LCK (0.47) LCKLYNSRCKDRHCK

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-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK LCK 3/4885LYN 12/4885SRC 6/4885

“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.