SCHEMBL5016589

SCHEMBL5016589

CCCN1C(=O)COc2ccc(Nc3nc(Nc4ccc(S(=O)(=O)NC(=O)CC)cc4)ncc3Cl)cc21.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.42
SYK P43405 1/20 0.42
BRD4 O60885 6/20 0.42
BTK Q06187 2/20 0.41
INSR P06213 4/20 0.41
MET P08581 3/20 0.41
JAK1 P23458 1/20 0.40
HDAC1 Q13547 1/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 2/20 0.40
MAPK3 P27361 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL5016592 0.99 MAP3K7 (0.43) MAP3K7SYKBRD4BTKINSR
SCHEMBL1474148 0.87 CCNT1 (0.49) SYKBRD4JAK1MAPTPOLB
SCHEMBL1474556 0.83 BRD4 (0.50) SYKBRD4INSRMETJAK1
SCHEMBL1474812 0.82 JAK3 (0.54) SYKBRD4BTKINSRMET
SCHEMBL1476475 0.81 ALK (0.49) SYKBRD4BTKINSRMET
SCHEMBL1473803 0.81 EGFR (0.44) SYKBRD4INSRMETJAK1
SCHEMBL3120100 0.81 BRD4 (0.65) MAP3K7BRD4BTKMETALK
SCHEMBL1476326 0.81 EGFR (0.42) SYKBRD4INSRMETALK
SCHEMBL5013236 0.81 POLB (0.49) SYKBRD4BTKINSRMET
SCHEMBL1474659 0.80 JAK3 (0.55) SYKBRD4BTKINSRMET

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 MAP3K7 29/4885SYK 62/4885BRD4 538/4885
US-20080221089-A1 Prevent transplant rejection; autoimmune diseases JAK3, JAK1, JAK2 MAP3K7 108/4885SYK 233/4885BRD4 2296/4885

“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.