SCHEMBL1476727

SCHEMBL1476727

NS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3ccc4c(c3)C(=O)CCC4)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA9 Q16790 3/20 0.60
CA4 P22748 2/20 0.60
IKBKB O14920 4/20 0.56
AURKA O14965 2/20 0.54
AURKB Q96GD4 1/20 0.54
CDK2 P24941 4/20 0.51
CCNA2 P20248 3/20 0.51
JAK1 P23458 2/20 0.49
JAK3 P52333 2/20 0.49
SYK P43405 1/20 0.47
CDK1 P06493 3/20 0.47
CCNT1 O60563 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK9 P50750 2/20 0.47
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 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
SCHEMBL1475013 0.92 CA1 (0.60) CA1CA2CA9CA4IKBKB
SCHEMBL1475202 0.92 JAK3 (0.59) CA1CA2CA9CA4IKBKB
SCHEMBL1474733 0.88 SYK (0.56) CA1CA2CA9CA4IKBKB
SCHEMBL1474734 0.85 AURKA (0.52) CA1CA2CA9CA4IKBKB
SCHEMBL1474452 0.84 JAK3 (0.59) CA1CA2CA9CA4AURKA
SCHEMBL1474891 0.80 SYK (0.56) CA1CA2CA9CA4AURKA
SCHEMBL655415 0.78 STK17B (0.44) AURKASYKFLT3CHEK1KIT
SCHEMBL4008141 0.77 AURKA (0.71) CA1CA2CA9AURKAAURKB
SCHEMBL1475128 0.77 JAK3 (0.60) AURKAAURKBCDK2CCNA2JAK1
SCHEMBL4973526 0.76 EGFR (0.59) IKBKBAURKAAURKBCDK2CCNA2

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-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 US claimed
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2007-08-30 US claimed
US-11667611-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-06-06 US disclosed
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-9593082-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-7915273-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 US disclosed
WO-2008079907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY 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 (6 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-11667611-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CA1 4805/4885CA2 4550/4885CA9 4432/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA1 4805/4885CA2 4550/4885CA9 4432/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA1 4805/4885CA2 4550/4885CA9 4432/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA1 4805/4885CA2 4550/4885CA9 4432/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 CA1 4754/4885CA2 4714/4885CA9 4395/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CA1 4805/4885CA2 4550/4885CA9 4432/4885

“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.