SCHEMBL912976

SCHEMBL912976

C[C@@H]1CCCN1C(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N[C@H](C)c3ccccc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.55
EGFR P00533 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
BRD4 O60885 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
ITK Q08881 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.42
MAP4K1 Q92918 1/20 0.42
IRAK4 Q9NWZ3 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
SCHEMBL912973 1.00 SYK (0.55) SYKEGFRTRPM8TRPV1BRD4
SCHEMBL912974 1.00 SYK (0.55) SYKEGFRTRPM8TRPV1BRD4
SCHEMBL913149 0.88 SYK (0.51) SYKEGFRMAPK8MAPK9ITK
SCHEMBL914107 0.88 SYK (0.51) SYKEGFRMAPK8MAPK9ITK
SCHEMBL913148 0.88 SYK (0.51) SYKEGFRMAPK8MAPK9ITK
SCHEMBL913769 0.87 SYK (0.62) SYKEGFRMAPK8MAPK9ITK
SCHEMBL913767 0.87 SYK (0.62) SYKEGFRMAPK8MAPK9ITK
SCHEMBL912948 0.86 SYK (0.61) SYKEGFRMAPK8MAPK9ITK
SCHEMBL912945 0.86 SYK (0.61) SYKEGFRMAPK8MAPK9ITK
SCHEMBL913968 0.86 SYK (0.59) SYKEGFRBRD4MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US claimed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885EGFR 772/4885TRPM8 4385/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885EGFR 772/4885TRPM8 4385/4885

“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.