SCHEMBL913625

SCHEMBL913625

CC(Nc1nc(Nc2ccc(Cl)c(NC(=O)N3CCCCC3)c2)ncc1C(N)=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.59
▸ STAT6 P42226 2/20 0.45
▸ ALK Q9UM73 2/20 0.44
▸ ROS1 P08922 1/20 0.44
▸ MAP4K3 Q8IVH8 1/20 0.44
▸ MAP4K1 Q92918 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ MAPK9 P45984 2/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MET P08581 2/20 0.43
▸ MAPK10 P53779 1/20 0.42
▸ INSR P06213 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ JAK3 P52333 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
SCHEMBL913624 1.00 SYK (0.59) SYKSTAT6ALKROS1MAP4K3
SCHEMBL913761 0.99 SYK (0.60) SYKSTAT6ALKROS1MAP4K3
SCHEMBL913760 0.99 SYK (0.60) SYKSTAT6ALKROS1MAP4K3
SCHEMBL913557 0.92 SYK (0.60) SYKSTAT6ALKROS1MAP4K3
SCHEMBL913559 0.92 SYK (0.60) SYKSTAT6ALKROS1MAP4K3
SCHEMBL14982158 0.90 SYK (0.60) SYKSTAT6MAP4K3MAP4K1IRAK4
SCHEMBL912700 0.89 SYK (0.59) SYKMAP4K3MAP4K1IRAK4MAPK9
SCHEMBL912702 0.89 SYK (0.59) SYKMAP4K3MAP4K1IRAK4MAPK9
SCHEMBL912948 0.88 SYK (0.61) SYKSTAT6ALKMAPK9MAPK8
SCHEMBL912945 0.88 SYK (0.61) SYKSTAT6ALKMAPK9MAPK8

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 SYK 72/4885STAT6 16/4885ALK 762/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885STAT6 16/4885ALK 762/4885

“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.

Send feedback