SCHEMBL15041266

SCHEMBL15041266

Cc1nc(-c2cccnc2)ccc1-c1cc2cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc2n(CCN(C)[S+](C)[O-])c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.42
ACVR1 Q04771 4/20 0.42
NOD2 Q9HC29 4/20 0.42
CAMK2D Q13557 1/20 0.42
PKN1 Q16512 3/20 0.41
PAK4 O96013 2/20 0.41
TNK2 Q07912 5/20 0.40
SRC P12931 1/20 0.40
AXL P30530 2/20 0.39
PAK1 Q13153 3/20 0.39
PAK3 O75914 2/20 0.38
PAK2 Q13177 2/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
SIK2 Q9H0K1 1/20 0.38
STK26 Q9P289 1/20 0.38
STK24 Q9Y6E0 1/20 0.38
WEE1 P30291 1/20 0.38

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
SCHEMBL15035101 0.95 RIPK2 (0.46) RIPK2ACVR1NOD2CAMK2DPKN1
SCHEMBL15787914 0.89 RIPK2 (0.43) RIPK2ACVR1NOD2CAMK2DPKN1
SCHEMBL14682001 0.84 RIPK2 (0.47) RIPK2ACVR1NOD2CAMK2DPKN1
SCHEMBL15281053 0.78 RIPK2 (0.46) RIPK2ACVR1NOD2TNK2SRC
SCHEMBL15041477 0.74 PAK4 (0.45) RIPK2ACVR1NOD2PKN1PAK4
SCHEMBL14682044 0.71 CAMK2D (0.42) RIPK2ACVR1NOD2CAMK2DPKN1
SCHEMBL14682004 0.71 RIPK2 (0.46) RIPK2ACVR1NOD2PKN1PAK4
SCHEMBL14681979 0.71 CAMK2D (0.56) RIPK2ACVR1NOD2CAMK2DPKN1
SCHEMBL13553635 0.70 PKN1 (0.61) RIPK2ACVR1NOD2CAMK2DPKN1
SCHEMBL15035795 0.70 PKN1 (0.55) RIPK2ACVR1NOD2PKN1PAK4

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.