SCHEMBL954659

SCHEMBL954659

CC(=O)Nc1cc(Nc2ncc(C(N)=O)c(NCc3cccc(F)c3)n2)ccc1OCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.56
JAK1 P23458 8/20 0.56
JAK2 O60674 8/20 0.56
STAT6 P42226 4/20 0.55
NTRK1 P04629 2/20 0.51
PTK2 Q05397 2/20 0.47
TYK2 P29597 1/20 0.47
EGFR P00533 1/20 0.47
ALK Q9UM73 1/20 0.47

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
SCHEMBL913215 0.87 STAT6 (0.58) JAK3JAK1JAK2STAT6NTRK1
SCHEMBL12904875 0.86 STAT6 (0.56) JAK3JAK1JAK2STAT6NTRK1
SCHEMBL914711 0.83 STAT6 (0.56) JAK3JAK1JAK2STAT6NTRK1
SCHEMBL914215 0.82 JAK3 (0.68) JAK3JAK1JAK2STAT6NTRK1
SCHEMBL942933 0.79 SYK (0.55) JAK3JAK1STAT6TYK2EGFR
SCHEMBL914015 0.79 STAT6 (0.59) JAK3JAK1JAK2STAT6
SCHEMBL913546 0.79 STAT6 (0.62) JAK3JAK1JAK2STAT6PTK2
SCHEMBL913086 0.78 JAK3 (0.64) JAK3JAK1JAK2STAT6NTRK1
SCHEMBL12904935 0.78 JAK3 (0.66) JAK3JAK1JAK2STAT6NTRK1
SCHEMBL913659 0.78 SYK (0.56) JAK3JAK1JAK2TYK2EGFR

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 24 patents — showing the first 20. 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
EP-2602255-B1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-04-26 EP disclosed
EP-2604597-B1 HETEROCYCLIC COMPOUND AND USE THEREOF INHIBITOR OF PHOSPHODIESTERASE 10A TAKEDA PHARMACEUTICALS CO (JP) 2017-01-04 EP disclosed
US-9150588-B2 Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-06 US disclosed
US-8883788-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-11 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-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
EP-2604597-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
EP-2602255-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP 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
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 3/4885JAK1 1/4885JAK2 2/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 JAK3 3/4885JAK1 1/4885JAK2 2/4885

“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.