SCHEMBL4409455

SCHEMBL4409455

NC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)cc1NCc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 10/20 0.62
JAK3 P52333 8/20 0.58
IRAK4 Q9NWZ3 4/20 0.58
JAK2 O60674 2/20 0.58
JAK1 P23458 2/20 0.58
TYK2 P29597 2/20 0.58
CSF1R P07333 1/20 0.53
BTK Q06187 1/20 0.53
NTRK1 P04629 2/20 0.48

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
SCHEMBL2486643 0.92 STAT6 (0.73) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2695039 0.92 JAK3 (0.57) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL12301690 0.92 STAT6 (0.60) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL12301574 0.90 JAK3 (0.73) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL12206772 0.90 JAK3 (0.73) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL4403266 0.90 SYK (0.59) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2694523 0.87 JAK3 (0.54) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL12322720 0.86 STAT6 (0.60) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2695069 0.85 STAT6 (0.64) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL12301688 0.85 STAT6 (0.61) STAT6JAK3IRAK4JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975027-A1 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK STAT6 79/4885JAK3 4/4885IRAK4 37/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK STAT6 79/4885JAK3 4/4885IRAK4 37/4885

“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.