SCHEMBL1474911

SCHEMBL1474911

CCCCN1C(=O)CSc2ccc(Nc3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.47
CDK1 P06493 3/20 0.47
CDK5 Q00535 3/20 0.47
CCNT1 O60563 2/20 0.47
CCNB2 O95067 2/20 0.47
CCNE2 O96020 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK9 P50750 2/20 0.47
CDK5R1 Q15078 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
CCNA2 P20248 3/20 0.46
AURKA O14965 2/20 0.45
AURKB Q96GD4 2/20 0.45
STK4 Q13043 6/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
JAK3 P52333 2/20 0.42

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
SCHEMBL1475126 0.95 CDK2 (0.49) CDK2CDK1CDK5CCNT1CCNB2
SCHEMBL1473469 0.93 JAK3 (0.51) CDK2CDK1CDK5CCNT1CCNB2
SCHEMBL1474000 0.92 CDK2 (0.49) CDK2CDK1CDK5CCNT1CCNB2
SCHEMBL1474967 0.91 JAK3 (0.51) CDK2CDK1CDK5CCNT1CCNB2
SCHEMBL1474651 0.91 CCNT1 (0.47) CDK2CDK1CDK5CCNT1CCNB2
SCHEMBL1473525 0.88 CDK2 (0.52) CDK2CDK1CDK5CCNT1CCNB2
SCHEMBL3996129 0.88 CDK2 (0.55) CDK2CDK1CDK5CCNT1CCNB2
SCHEMBL4003373 0.87 AURKA (0.46) CDK2CDK1CDK5CCNT1CCNB2
SCHEMBL1474787 0.86 JAK3 (0.51) CDK2CDK1CDK5CCNA2AURKA
SCHEMBL1474469 0.86 JAK3 (0.52) CDK2CDK1CDK5CCNT1CCNB2

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 CDK2 236/4885CDK1 155/4885CDK5 259/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CDK1 155/4885CDK5 259/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CDK1 155/4885CDK5 259/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CDK1 155/4885CDK5 259/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 CDK2 986/4885CDK1 537/4885CDK5 861/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CDK1 155/4885CDK5 259/4885

“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.