SCHEMBL1473572

SCHEMBL1473572

C#CCOc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.61
CDK2 P24941 5/20 0.61
KDR P35968 4/20 0.61
CA2 P00918 2/20 0.54
PTK2 Q05397 7/20 0.54
ENPP3 O14638 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA4 P22748 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
AURKA O14965 3/20 0.51
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
SYK P43405 2/20 0.51
AURKB Q96GD4 2/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
DCLK1 O15075 1/20 0.51

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
SCHEMBL1474309 1.00 CDK1 (0.61) CDK1CDK2KDRCA2PTK2
SCHEMBL1476605 0.91 PTK2 (0.64) CDK1CDK2KDRPTK2ENPP3
SCHEMBL1474741 0.91 PTK2 (0.64) CDK1CDK2KDRPTK2ENPP3
SCHEMBL1606869 0.87 CDK1 (0.57) CDK1CDK2KDRPTK2AURKA
SCHEMBL1475626 0.87 CDK1 (0.57) CDK1CDK2KDRPTK2AURKA
SCHEMBL1476160 0.87 SYK (0.62) CDK1CDK2KDRCA2PTK2
SCHEMBL5059058 0.86 CDK1 (0.51) CDK1CDK2KDRCA2PTK2
SCHEMBL1474908 0.85 CA2 (0.57) CDK1CDK2KDRCA2PTK2
SCHEMBL1474685 0.85 CA2 (0.60) CDK1CDK2KDRCA2PTK2
SCHEMBL1474324 0.83 CDK2 (0.56) CDK1CDK2KDRCA2PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CDK1 155/4885CDK2 236/4885KDR 2349/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK1 155/4885CDK2 236/4885KDR 2349/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK1 155/4885CDK2 236/4885KDR 2349/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK1 155/4885CDK2 236/4885KDR 2349/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 CDK1 537/4885CDK2 986/4885KDR 3470/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK1 155/4885CDK2 236/4885KDR 2349/4885

“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.