SCHEMBL1473469

SCHEMBL1473469

CCCCN1C(=O)CSc2ccc(Nc3nc(Nc4cccc(S(N)(=O)=O)c4)ncc3F)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.51
JAK1 P23458 9/20 0.51
CDK2 P24941 6/20 0.51
CDK1 P06493 5/20 0.51
CCNE2 O96020 4/20 0.51
CCNE1 P24864 4/20 0.51
CCNT1 O60563 4/20 0.51
CCNB1 P14635 4/20 0.51
CDK9 P50750 4/20 0.51
CCNB2 O95067 3/20 0.51
CCNB3 Q8WWL7 3/20 0.51
CDK5 Q00535 3/20 0.51
CDK5R1 Q15078 2/20 0.51
CCNA2 P20248 2/20 0.44
CDK7 P50613 2/20 0.44
CCNH P51946 2/20 0.44
BMPR2 Q13873 1/20 0.44
CCNA1 P78396 1/20 0.43
CDK4 P11802 1/20 0.43
CDK6 Q00534 1/20 0.43

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
SCHEMBL1473525 0.95 CDK2 (0.52) JAK3JAK1CDK2CDK1CCNE2
SCHEMBL1474911 0.93 CDK2 (0.47) JAK3JAK1CDK2CDK1CCNE2
SCHEMBL1474529 0.92 JAK3 (0.53) JAK3JAK1CDK2CDK1CCNE2
SCHEMBL1476223 0.92 JAK3 (0.57) JAK3JAK1CDK2CDK1CCNE2
SCHEMBL1474967 0.89 JAK3 (0.51) JAK3JAK1CDK2CDK1CCNE2
SCHEMBL1475126 0.88 CDK2 (0.49) JAK3JAK1CDK2CDK1CCNE2
SCHEMBL4001971 0.88 CDK2 (0.58) JAK3JAK1CDK2CDK1CCNE2
SCHEMBL3999779 0.87 JAK3 (0.51) JAK3JAK1CDK2CDK1CCNE2
SCHEMBL1474385 0.87 JAK3 (0.59) JAK3JAK1CDK2CDK1CCNE2
SCHEMBL1475976 0.86 CDK1 (0.52) JAK3JAK1CDK2CDK1CCNE2

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 JAK3 1/4885JAK1 3/4885CDK2 236/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 236/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 236/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 236/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885CDK2 986/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885CDK2 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.