SCHEMBL913557

SCHEMBL913557

C[C@@H](Nc1nc(Nc2ccc(Cl)c(NC(=O)N3CCOCC3)c2)ncc1C(N)=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 8/20 0.60
▸ MAPK9 P45984 4/20 0.50
▸ MAPK10 P53779 4/20 0.50
▸ MAPK8 P45983 2/20 0.49
▸ STAT6 P42226 6/20 0.48
▸ ROS1 P08922 1/20 0.46
▸ ALK Q9UM73 1/20 0.46
▸ MAP4K3 Q8IVH8 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.44
▸ IRAK4 Q9NWZ3 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
SCHEMBL913559 1.00 SYK (0.60) SYKMAPK9MAPK10MAPK8STAT6
SCHEMBL913760 0.93 SYK (0.60) SYKMAPK9MAPK10MAPK8STAT6
SCHEMBL913761 0.93 SYK (0.60) SYKMAPK9MAPK10MAPK8STAT6
SCHEMBL913625 0.92 SYK (0.59) SYKMAPK9MAPK10MAPK8STAT6
SCHEMBL913624 0.92 SYK (0.59) SYKMAPK9MAPK10MAPK8STAT6
SCHEMBL912659 0.88 SYK (0.62) SYKMAPK9MAPK8STAT6MAP4K3
SCHEMBL912660 0.88 SYK (0.62) SYKMAPK9MAPK8STAT6MAP4K3
SCHEMBL912700 0.87 SYK (0.59) SYKMAPK9MAPK10MAPK8MAP4K3
SCHEMBL912702 0.87 SYK (0.59) SYKMAPK9MAPK10MAPK8MAP4K3
SCHEMBL914164 0.85 SYK (0.59) SYKMAPK9MAPK10MAPK8STAT6

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 11 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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO 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 72/4885MAPK9 137/4885MAPK10 240/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885MAPK9 137/4885MAPK10 240/4885

“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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