SCHEMBL1474734

SCHEMBL1474734

NS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3ccc4c(c3)C(=O)NCC4)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.52
AURKB Q96GD4 2/20 0.52
CDK2 P24941 5/20 0.52
CCNA2 P20248 3/20 0.52
CDK4 P11802 1/20 0.49
CDK6 Q00534 1/20 0.49
JAK3 P52333 3/20 0.49
JAK1 P23458 2/20 0.49
IKBKB O14920 4/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA4 P22748 1/20 0.46
CDK1 P06493 4/20 0.46
SYK P43405 3/20 0.46
CDK5 Q00535 2/20 0.46
CCNT1 O60563 1/20 0.46
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CCNB1 P14635 1/20 0.46

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
SCHEMBL1475128 0.92 JAK3 (0.60) AURKAAURKBCDK2CCNA2CDK4
SCHEMBL1476535 0.89 SYK (0.56) AURKAAURKBCDK2CCNA2CDK4
SCHEMBL1476727 0.85 CA1 (0.60) AURKAAURKBCDK2CCNA2CDK6
SCHEMBL1197573 0.80 SYK (0.52) AURKAAURKBCDK2CCNA2CDK4
SCHEMBL1475013 0.79 CA1 (0.60) AURKAAURKBCDK2CCNA2JAK3
SCHEMBL1475202 0.77 JAK3 (0.59) AURKAAURKBCDK2CCNA2CDK6
SCHEMBL341487 0.77 JAK3 (0.65) AURKAAURKBCDK2CCNA2JAK3
SCHEMBL4008141 0.76 AURKA (0.71) AURKAAURKBCDK2CCNA2JAK3
SCHEMBL1633110 0.76 IKBKB (0.47) CDK2CCNA2CDK4CDK6IKBKB
SCHEMBL1474733 0.75 SYK (0.56) AURKAAURKBCDK2CCNA2JAK3

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 AURKA 751/4885AURKB 461/4885CDK2 236/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 AURKA 751/4885AURKB 461/4885CDK2 236/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 AURKA 751/4885AURKB 461/4885CDK2 236/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 AURKA 751/4885AURKB 461/4885CDK2 236/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 AURKA 3449/4885AURKB 3015/4885CDK2 986/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 AURKA 751/4885AURKB 461/4885CDK2 236/4885

“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.