SCHEMBL14916145

SCHEMBL14916145

CCn1cc(-n2ccc(=O)c(COc3ccc4ncc(Oc5ccccn5)cc4c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
SCN7A Q01118 6/20 0.33
KCNH2 Q12809 6/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
P2RX7 Q99572 2/20 0.32
GRM2 Q14416 1/20 0.31
GCK P35557 1/20 0.31
EIF2AK4 Q9P2K8 1/20 0.31
KLKB1 P03952 2/20 0.31
SYK P43405 1/20 0.31
PTGS2 P35354 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL359896 0.86 EIF2AK4 (0.41) EIF2AK4SYKKDM4EALDH1A1LMNA
SCHEMBL370955 0.86 MET (0.38) PPARGKDM4EALDH1A1LMNAMAPT
SCHEMBL371343 0.83 PDGFRB (0.45) GRM2MET
SCHEMBL368757 0.83 MET (0.37) EIF2AK4MET
SCHEMBL367674 0.83
SCHEMBL10283772 0.82 MET (0.35) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL368322 0.82 PDGFRB (0.41) GRM2EIF2AK4MET
SCHEMBL359863 0.82 PDGFRB (0.34) GRM2EIF2AK4KDM4EALDH1A1LMNA
SCHEMBL14916383 0.82 MET (0.42) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL14916548 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 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 (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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET PPARG 3001/4885SCN7A 4406/4885KCNH2 3255/4885

“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.