SCHEMBL1531584

SCHEMBL1531584

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nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
RAPGEF4 Q8WZA2 2/20 0.39
RAPGEF3 O95398 1/20 0.39
GRN P28799 6/20 0.38
SORT1 Q99523 6/20 0.38
MDM2 Q00987 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
EPAS1 Q99814 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1531587 1.00 GRM4 (0.41) GRM4RAPGEF4RAPGEF3GRNSORT1
SCHEMBL1531548 0.89 GRN (0.46) GRNSORT1MAPK1MAPTKDM4E
SCHEMBL1531545 0.89 GRN (0.46) GRNSORT1MAPK1MAPTKDM4E
SCHEMBL28104638 0.85 GRM4 (0.41) GRM4RAPGEF4RAPGEF3GRNSORT1
Iodide SCHEMBL1440193 0.82 GRM4 (0.37) GRM4RAPGEF4RAPGEF3GRNSORT1
Iodide SCHEMBL1440189 0.82 GRM4 (0.37) GRM4RAPGEF4RAPGEF3GRNSORT1
Iodide SCHEMBL30752012 0.82 GRM4 (0.37) GRM4RAPGEF4RAPGEF3GRNSORT1
SCHEMBL1439322 0.81 GRM4 (0.39) GRM4RAPGEF4RAPGEF3GRNSORT1
SCHEMBL1439320 0.81 GRM4 (0.39) GRM4RAPGEF4RAPGEF3GRNSORT1
SCHEMBL5029423 0.78 TSHR (0.56) MAPK1MAPTKDM4EGAARAB9A

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-9029359-B2 Heteroaryl Btk inhibitors BIOGEN IDEC MA, INC. (US) 2015-05-12 US disclosed
EP-2485589-A1 HETEROARYL BTK INHIBITORS Biogen Idec MA Inc. (US) 2012-08-15 EP disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
WO-2011029043-A1 HETEROARYL BTK INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 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-20120157442-A1 HETEROARYL BTK INHIBITORS BTK, LYN, SYK GRM4 4607/4885RAPGEF4 1660/4885RAPGEF3 940/4885

“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.