Sugi Predict

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SCHEMBL912281

SCHEMBL912281

CN1CCN(C(=O)Nc2cccc(Nc3ncc(C(N)=O)c(NCc4cccc(F)c4)n3)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 13/20 0.64
▸ STAT6 P42226 4/20 0.63
▸ JAK3 P52333 2/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ JAK1 P23458 1/20 0.62
▸ NTRK3 Q16288 2/20 0.57
▸ NTRK2 Q16620 2/20 0.57
▸ SYK P43405 1/20 0.53
▸ NUAK1 O60285 1/20 0.52
▸ STK16 O75716 1/20 0.52
▸ CSNK2A2 P19784 1/20 0.52
▸ TYK2 P29597 1/20 0.52
▸ BMPR2 Q13873 1/20 0.52
▸ AAK1 Q2M2I8 1/20 0.52
▸ NUAK2 Q9H093 1/20 0.52
▸ MKNK2 Q9HBH9 1/20 0.52
▸ BMP2K Q9NSY1 1/20 0.52
▸ TBK1 Q9UHD2 1/20 0.52

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
SCHEMBL913798 0.93 STAT6 (0.65) NTRK1STAT6JAK3JAK2JAK1
SCHEMBL913050 0.92 STAT6 (0.69) NTRK1STAT6JAK3JAK2JAK1
SCHEMBL913592 0.91 STAT6 (0.74) NTRK1STAT6JAK3JAK2JAK1
SCHEMBL914215 0.86 JAK3 (0.68) NTRK1STAT6JAK3JAK2JAK1
SCHEMBL3723031 0.85 JAK3 (0.58) STAT6JAK3JAK2JAK1SYK
SCHEMBL913548 0.84 STAT6 (0.67) NTRK1STAT6SYKNUAK1STK16
SCHEMBL913657 0.84 STAT6 (0.65) NTRK1STAT6SYKNUAK1STK16
SCHEMBL12905020 0.84 JAK3 (0.69) NTRK1STAT6JAK3JAK2JAK1
SCHEMBL12904935 0.84 JAK3 (0.66) NTRK1STAT6JAK3JAK2JAK1
SCHEMBL914035 0.83 STAT6 (0.68) NTRK1STAT6SYKNUAK1STK16

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
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
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 NTRK1 3318/4885STAT6 16/4885JAK3 3/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 NTRK1 3318/4885STAT6 16/4885JAK3 3/4885

“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.