SCHEMBL5013236

SCHEMBL5013236

CCN1C(=O)COc2ccc(Nc3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CDK9 P50750 2/20 0.48
CDK5 Q00535 2/20 0.48
CCNT1 O60563 1/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
NTRK1 P04629 2/20 0.47
STK4 Q13043 5/20 0.46
JAK3 P52333 3/20 0.46
JAK1 P23458 2/20 0.46
SYK P43405 2/20 0.46
MAPK3 P27361 1/20 0.45
BRD4 O60885 3/20 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
SCHEMBL1474148 0.94 CCNT1 (0.49) POLBMAPTCDK9CDK5CCNT1
SCHEMBL1473528 0.93 JAK3 (0.55) CDK9CDK5CCNT1CCNB2CCNE2
SCHEMBL1474079 0.90 SYK (0.45) CDK9CDK5CDK1CDK2NTRK1
SCHEMBL1474371 0.90 NTRK1 (0.47) POLBMAPTCDK9CDK5CCNT1
SCHEMBL1474892 0.90 AURKA (0.50) POLBMAPTCDK9CDK5CCNT1
SCHEMBL1474812 0.86 JAK3 (0.54) CDK9CDK5CCNT1CCNB2CCNE2
SCHEMBL1476318 0.85 BRD4 (0.51) JAK3JAK1SYKMAPK3BRD4
SCHEMBL1474659 0.84 JAK3 (0.55) CDK5CDK1CDK2NTRK1STK4
SCHEMBL12854601 0.84 ALK (0.63) CDK9CDK5CDK2NTRK1JAK3
SCHEMBL12854577 0.84 BRD4 (0.66) CDK9CDK5CDK2NTRK1JAK3

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 POLB 1420/4885MAPT 3810/4885CDK9 106/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 POLB 3913/4885MAPT 4640/4885CDK9 311/4885

“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.