SCHEMBL1474577

SCHEMBL1474577

C#CCCc1ccc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.60
AURKB Q96GD4 3/20 0.60
CA2 P00918 3/20 0.57
CDK2 P24941 5/20 0.54
CCNA2 P20248 2/20 0.54
SYK P43405 7/20 0.51
CDK1 P06493 4/20 0.49
KDR P35968 3/20 0.49
NTRK1 P04629 2/20 0.48
CDK5 Q00535 2/20 0.48
CCNT1 O60563 2/20 0.48
CDK9 P50750 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
JAK3 P52333 2/20 0.46
JAK2 O60674 2/20 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
SCHEMBL1474589 0.86 SYK (0.62) AURKAAURKBCA2CDK2CCNA2
SCHEMBL1474196 0.86 AURKA (0.58) AURKAAURKBCA2CDK2CCNA2
SCHEMBL1197602 0.85 AURKA (0.60) AURKAAURKBCA2CDK2CCNA2
SCHEMBL4970405 0.85 CA2 (0.59) AURKAAURKBCA2CDK2CCNA2
SCHEMBL4001420 0.84 AURKA (0.59) AURKAAURKBCA2CDK2CCNA2
SCHEMBL4008247 0.84 AURKA (0.59) AURKAAURKBCA2CDK2CCNA2
SCHEMBL1474323 0.83 CA2 (0.62) AURKAAURKBCA2CDK2CCNA2
SCHEMBL1476160 0.83 SYK (0.62) AURKAAURKBCA2CDK2CCNA2
SCHEMBL3997330 0.83 AURKA (0.58) AURKAAURKBCA2CDK2CCNA2
SCHEMBL4008187 0.83 AURKA (0.60) AURKAAURKBCA2CDK2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593082-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-03-14 US claimed
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-09-11 US claimed
WO-2008079907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-07-03 WO 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 461/4885CA2 4550/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 AURKA 751/4885AURKB 461/4885CA2 4550/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 AURKA 751/4885AURKB 461/4885CA2 4550/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 AURKA 751/4885AURKB 461/4885CA2 4550/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 AURKA 3449/4885AURKB 3015/4885CA2 4714/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 AURKA 751/4885AURKB 461/4885CA2 4550/4885

“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.