SCHEMBL5014628

SCHEMBL5014628

CCCN1C(=O)C(C)(C)Oc2ccc(Nc3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.48
JAK3 P52333 3/20 0.48
NTRK1 P04629 2/20 0.47
CCNE1 P24864 3/20 0.47
CDK2 P24941 3/20 0.47
CCNT1 O60563 2/20 0.47
CCNB2 O95067 2/20 0.47
CCNE2 O96020 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CDK9 P50750 2/20 0.47
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
STK4 Q13043 9/20 0.45
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
BRD4 O60885 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
SCHEMBL1474148 0.85 CCNT1 (0.49) JAK1JAK3NTRK1CCNE1CDK2
SCHEMBL3112812 0.85 BRD4 (0.61) JAK3NTRK1CDK2CDK9CDK5
SCHEMBL3122460 0.81 CTSC (0.55) JAK1JAK3NTRK1CDK9CDK5
SCHEMBL1474835 0.81 JAK3 (0.56) JAK1JAK3NTRK1CDK2CDK1
SCHEMBL1475290 0.81 JAK3 (0.62) JAK1JAK3NTRK1CDK2CDK1
SCHEMBL5013236 0.80 POLB (0.49) JAK1JAK3NTRK1CCNE1CDK2
SCHEMBL1474812 0.80 JAK3 (0.54) JAK1JAK3NTRK1CCNE1CDK2
SCHEMBL17669869 0.80 AURKA (0.52) JAK1JAK3CCNE1CDK2CCNT1
SCHEMBL12854593 0.79 BRD4 (0.62) JAK3NTRK1CDK2CDK9CDK5
SCHEMBL1474371 0.79 NTRK1 (0.47) JAK1JAK3NTRK1CCNE1CDK2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070203161-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK1 3/4885JAK3 1/4885NTRK1 4361/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 JAK1 2/4885JAK3 1/4885NTRK1 4560/4885

“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.