SCHEMBL913837

SCHEMBL913837

COC(=O)Nc1cc(Nc2ncc(C(N)=O)c(NCC(F)(F)F)n2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.54
MAPK8 P45983 7/20 0.51
EGFR P00533 4/20 0.49
MAPK9 P45984 2/20 0.46
JAK3 P52333 3/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
ITK Q08881 2/20 0.46
MAPK10 P53779 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
SCHEMBL914104 0.85 EGFR (0.55) SYKMAPK8EGFRMAPK9ITK
SCHEMBL913574 0.85 STAT6 (0.60) SYKMAPK8MAPK9JAK3JAK2
SCHEMBL3714501 0.83 JAK3 (0.58) MAPK8MAPK9JAK3JAK2JAK1
SCHEMBL913681 0.80 SYK (0.64) SYK
SCHEMBL736801 0.80 SYK (0.65) SYKMAPK8MAPK9JAK3MAPK10
SCHEMBL913030 0.79 SYK (0.55) SYKMAPK8EGFRMAPK9MAPK10
SCHEMBL913032 0.79 SYK (0.55) SYKMAPK8EGFRMAPK9MAPK10
SCHEMBL914076 0.78 SYK (0.59) SYKMAPK8EGFRITK
SCHEMBL915052 0.78 CCNT1 (0.59) SYKMAPK8EGFRMAPK9JAK3
SCHEMBL735474 0.77 SYK (0.66) SYKMAPK8JAK3JAK2JAK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US claimed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US claimed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 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-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 SYK 72/4885MAPK8 196/4885EGFR 772/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 SYK 72/4885MAPK8 196/4885EGFR 772/4885

“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.