SCHEMBL1474686

SCHEMBL1474686

CCCN1C(=O)COc2ccc(Nc3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3F)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.49
CCNT1 O60563 1/20 0.49
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK9 P50750 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
STK4 Q13043 5/20 0.47
CCNA2 P20248 3/20 0.46
EGFR P00533 3/20 0.45
ITK Q08881 2/20 0.45
SYK P43405 5/20 0.45
JAK1 P23458 2/20 0.45
JAK3 P52333 2/20 0.45

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
SCHEMBL1474892 0.94 AURKA (0.50) CDK2CCNT1CCNB2CCNE2CDK1
SCHEMBL1473967 0.93 JAK1 (0.54) CDK2CCNT1CCNB2CCNE2CDK1
SCHEMBL1474659 0.91 JAK3 (0.55) CDK2CDK1CDK5AURKAAURKB
SCHEMBL1477009 0.91 SYK (0.52) CDK2CDK1CDK5AURKAAURKB
SCHEMBL1474148 0.90 CCNT1 (0.49) CDK2CCNT1CCNB2CCNE2CDK1
SCHEMBL3997103 0.89 SYK (0.55) CDK2CCNT1CCNB2CCNE2CDK1
SCHEMBL4000684 0.88 AURKA (0.48) CDK2CCNT1CCNB2CCNE2CDK1
SCHEMBL1474444 0.86 JAK1 (0.55) CDK2CCNT1CCNB2CCNE2CDK1
SCHEMBL1475025 0.85 JAK3 (0.54) CDK2CDK1CDK5AURKAAURKB
SCHEMBL17669870 0.85 AURKA (0.49) CDK2CCNT1CCNB2CCNE2CDK1

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 12 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
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 CDK2 236/4885CCNT1 1524/4885CCNB2 2868/4885
US-20170121291-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CCNT1 1524/4885CCNB2 2868/4885
US-20190256476-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CCNT1 1524/4885CCNB2 2868/4885
US-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CCNT1 1524/4885CCNB2 2868/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 CDK2 986/4885CCNT1 2323/4885CCNB2 4259/4885
US-20100152218-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CDK2 236/4885CCNT1 1524/4885CCNB2 2868/4885

“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.