SCHEMBL913566

SCHEMBL913566

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N[C@@H](c3ccccc3)C3CC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.55
▸ SYK P43405 12/20 0.52
▸ MAP3K5 Q99683 1/20 0.49
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ BTK Q06187 2/20 0.48
▸ ITK Q08881 1/20 0.48
▸ MAP4K3 Q8IVH8 1/20 0.46
▸ MAP4K1 Q92918 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46

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
SCHEMBL913569 1.00 EGFR (0.55) EGFRSYKMAP3K5MAPK8MAPK9
SCHEMBL914191 0.86 SYK (0.61) EGFRSYKMAP3K5MAPK8MAPK9
SCHEMBL914009 0.86 SYK (0.61) EGFRSYKMAP3K5MAPK8MAPK9
SCHEMBL13074835 0.86 EGFR (0.59) EGFRSYKMAP3K5MAPK8MAPK9
SCHEMBL914008 0.86 SYK (0.61) EGFRSYKMAP3K5MAPK8MAPK9
SCHEMBL912968 0.84 IRAK4 (0.64) EGFRSYKMAP3K5MAPK8MAPK9
SCHEMBL912969 0.84 IRAK4 (0.64) EGFRSYKMAP3K5MAPK8MAPK9
SCHEMBL913712 0.84 IRAK4 (0.64) EGFRSYKMAP3K5MAPK8MAPK9
SCHEMBL913523 0.83 EGFR (0.59) EGFRSYKMAP3K5MAPK8MAPK9
SCHEMBL914788 0.81 SYK (0.65) EGFRSYKMAP3K5ITK

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 15 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-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-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-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
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 — — US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — 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 (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 EGFR 772/4885SYK 72/4885MAP3K5 21/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 EGFR 772/4885SYK 72/4885MAP3K5 21/4885

“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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