SCHEMBL4975844

SCHEMBL4975844

NS(=O)(=O)c1cccc(Nc2ncc(F)c(Nc3ccc(CNS(=O)(=O)C4CCCCC4)cc3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.57
JAK1 P23458 6/20 0.57
NTRK1 P04629 5/20 0.50
BTK Q06187 3/20 0.48
EGFR P00533 2/20 0.48
CDK2 P24941 6/20 0.48
CDK1 P06493 5/20 0.48
CDK5 Q00535 4/20 0.48
FLT3 P36888 3/20 0.48
CCNE1 P24864 3/20 0.48
CCNT1 O60563 3/20 0.48
CCNB1 P14635 3/20 0.48
CDK9 P50750 3/20 0.48
CDK5R1 Q15078 2/20 0.48
CCNA2 P20248 2/20 0.48
CCND3 P30281 1/20 0.48
CDK6 Q00534 1/20 0.48
SYK P43405 6/20 0.48
CCNE2 O96020 2/20 0.47
CCNB2 O95067 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
SCHEMBL4974490 0.99 JAK3 (0.58) JAK3JAK1NTRK1BTKEGFR
SCHEMBL4972992 0.96 JAK3 (0.60) JAK3JAK1NTRK1BTKEGFR
SCHEMBL4973704 0.91 AURKA (0.52) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4975196 0.90 AURKA (0.53) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4973463 0.90 JAK3 (0.59) JAK3JAK1NTRK1BTKEGFR
SCHEMBL4972312 0.88 JAK3 (0.49) JAK3JAK1NTRK1BTKEGFR
SCHEMBL4972409 0.87 NTRK1 (0.55) JAK3JAK1NTRK1BTKEGFR
SCHEMBL4971338 0.87 AURKA (0.55) JAK3JAK1NTRK1CDK2CDK1
SCHEMBL4973116 0.87 SYK (0.57) JAK3JAK1NTRK1EGFRCDK2
SCHEMBL4973502 0.86 SYK (0.57) JAK3JAK1NTRK1EGFRCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991532-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2017-01-11 EP claimed
US-8962643-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-02-24 US claimed
EP-1991532-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-11-19 EP claimed
WO-2007098507-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO claimed
US-20070203162-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2007-08-30 US claimed
EP-1991532-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2017-01-11 EP disclosed
US-9481654-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-20150158824-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2015-06-11 US disclosed
US-8962643-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
EP-1991532-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-11-19 EP disclosed
WO-2007098507-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2007-08-30 WO disclosed
US-20070203162-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2007-08-30 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-20070203162-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885NTRK1 4560/4885
US-20150158824-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885NTRK1 4361/4885

“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.