SCHEMBL913527

SCHEMBL913527

CN(c1nc(Nc2ccc(Cl)c(NC(=O)N3CCCC3)c2)ncc1C(N)=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.47
▸ LCK P06239 2/20 0.47
▸ SYK P43405 15/20 0.46
▸ MAPT P10636 1/20 0.42
▸ ROS1 P08922 1/20 0.41
▸ ALK Q9UM73 1/20 0.41

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
SCHEMBL914485 0.98 JAK3 (0.49) JAK3LCKSYKMAPT
SCHEMBL913058 0.86 JAK3 (0.47) JAK3LCKSYK
SCHEMBL914809 0.81 SYK (0.63) SYK
SCHEMBL913529 0.81 SYK (0.57) JAK3SYK
SCHEMBL914488 0.80 JAK2 (0.54) JAK3SYK
SCHEMBL913841 0.79 SYK (0.51) SYKMAPTROS1ALK
SCHEMBL913185 0.79 SYK (0.51) SYKMAPTROS1ALK
SCHEMBL913183 0.79 SYK (0.51) SYKMAPTROS1ALK
SCHEMBL913541 0.78 JAK3 (0.52) JAK3SYK
SCHEMBL913071 0.78 SYK (0.51) SYKROS1ALK

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 7 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
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 JAK3 3/4885LCK 62/4885SYK 72/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK3 3/4885LCK 62/4885SYK 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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