SCHEMBL914264

SCHEMBL914264

CC1(C)Oc2ccc(Nc3ncc(C(N)=O)c(NCc4ccccn4)n3)cc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.56
▸ JAK1 P23458 1/20 0.51
▸ SYK P43405 5/20 0.51
▸ PTK2 Q05397 6/20 0.49
▸ PTK2B Q14289 4/20 0.47
▸ MAP4K3 Q8IVH8 1/20 0.46
▸ MAP4K1 Q92918 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ STAT6 P42226 3/20 0.45
▸ MAPK8 P45983 2/20 0.44
▸ MAPK9 P45984 1/20 0.44

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
SCHEMBL14974313 0.90 STAT6 (0.57) JAK3JAK1SYKMAP4K3MAP4K1
SCHEMBL914805 0.83 JAK3 (0.57) JAK3JAK1SYKSTAT6
SCHEMBL20760009 0.80 JAK3 (0.55) JAK3SYKPTK2PTK2BSTAT6
SCHEMBL913836 0.80 JAK1 (0.52) JAK3JAK1SYKMAP4K3MAP4K1
SCHEMBL914262 0.80 JAK1 (0.48) JAK3JAK1SYKMAP4K3MAP4K1
SCHEMBL20759881 0.79 JAK3 (0.53) JAK3SYKPTK2PTK2BSTAT6
SCHEMBL30121827 0.79 JAK3 (0.53) JAK3SYKPTK2PTK2BSTAT6
SCHEMBL914001 0.76 JAK3 (0.65) JAK3JAK1SYKPTK2STAT6
SCHEMBL22261418 0.73 JAK3 (0.80) JAK3JAK1SYK
SCHEMBL29622925 0.73 JAK3 (0.80) JAK3JAK1SYK

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 6 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-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-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 JAK3 3/4885JAK1 1/4885SYK 72/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK3 3/4885JAK1 1/4885SYK 72/4885

“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.

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