SCHEMBL5022301

SCHEMBL5022301

C#CCN1C(=O)CSc2ccc(Nc3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA9 Q16790 3/20 0.46
NTRK1 P04629 2/20 0.45
CCNT1 O60563 2/20 0.44
CCNB2 O95067 2/20 0.44
CCNE2 O96020 2/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CDK9 P50750 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
INSR P06213 2/20 0.41
MET P08581 2/20 0.41

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
SCHEMBL1474539 0.91 JAK3 (0.49) CA2CA12CA1CA9NTRK1
SCHEMBL1474651 0.87 CCNT1 (0.47) CA2CA12CA1CA9NTRK1
SCHEMBL3114861 0.84 ALK (0.55) NTRK1CDK9CDK5AURKAAURKB
SCHEMBL1474737 0.84 JAK3 (0.55) NTRK1CCNT1CDK1CCNB1CDK2
SCHEMBL1474879 0.82 BRD4 (0.42) NTRK1CDK1CDK2CDK5AURKA
SCHEMBL4003373 0.82 AURKA (0.46) CA2CA12CA1CA9NTRK1
SCHEMBL1475976 0.81 CDK1 (0.52) NTRK1CCNT1CCNB2CCNE2CDK1
SCHEMBL1474000 0.80 CDK2 (0.49) CA2CA12CA1CA9NTRK1
SCHEMBL1474787 0.79 JAK3 (0.51) CA2CA12CA1CA9NTRK1
SCHEMBL1474881 0.79 INSR (0.42) NTRK1CDK1CDK2CDK5AURKA

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 CA2 4550/4885CA12 4660/4885CA1 4805/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 CA2 4714/4885CA12 4622/4885CA1 4754/4885

“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.