SCHEMBL15035101

SCHEMBL15035101

Cc1nc(-c2ccccc2)ccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(CCN(C)[S+](C)[O-])c1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.46
ACVR1 Q04771 3/20 0.46
NOD2 Q9HC29 3/20 0.46
TNK2 Q07912 8/20 0.43
CAMK2D Q13557 1/20 0.42
PAK4 O96013 2/20 0.41
PKN1 Q16512 2/20 0.41
SRC P12931 1/20 0.41
AXL P30530 4/20 0.40
PAK1 Q13153 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
SCHEMBL15041266 0.95 RIPK2 (0.42) RIPK2ACVR1NOD2TNK2CAMK2D
SCHEMBL14682001 0.89 RIPK2 (0.47) RIPK2ACVR1NOD2TNK2CAMK2D
SCHEMBL15787914 0.84 RIPK2 (0.43) RIPK2ACVR1NOD2TNK2CAMK2D
SCHEMBL15281053 0.81 RIPK2 (0.46) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15041477 0.74 PAK4 (0.45) RIPK2ACVR1NOD2PAK4PKN1
SCHEMBL13553932 0.74 PAK4 (0.54) TNK2PAK4PKN1SRC
SCHEMBL14682004 0.73 RIPK2 (0.46) RIPK2ACVR1NOD2TNK2PAK4
SCHEMBL15035795 0.73 PKN1 (0.55) RIPK2ACVR1NOD2TNK2PAK4
SCHEMBL14681979 0.72 CAMK2D (0.56) RIPK2ACVR1NOD2TNK2CAMK2D
SCHEMBL15036122 0.71 RIPK2 (0.47) RIPK2ACVR1NOD2TNK2SRC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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 (1 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 RIPK2 971/4885ACVR1 4752/4885NOD2 4628/4885

“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.