SCHEMBL15041471

SCHEMBL15041471

Cc1nc(-c2cnnn2C)ncc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(CCN(C)S(C)(=O)=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 7/20 0.37
SRC P12931 3/20 0.37
RIPK2 O43353 7/20 0.37
NOD2 Q9HC29 7/20 0.37
ACVR1 Q04771 6/20 0.37
FGFR1 P11362 3/20 0.35
WEE1 P30291 1/20 0.35
CHEK1 O14757 1/20 0.34

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
SCHEMBL14682045 0.92 CHEK1 (0.41) TNK2SRCRIPK2NOD2ACVR1
SCHEMBL13553770 0.88 RIPK2 (0.37) TNK2SRCRIPK2NOD2ACVR1
SCHEMBL14682089 0.79 RIPK2 (0.37) TNK2SRCRIPK2NOD2ACVR1
SCHEMBL15036069 0.78 RIPK2 (0.45) TNK2SRCRIPK2NOD2ACVR1
SCHEMBL15041536 0.75 RIPK2 (0.42) TNK2SRCRIPK2NOD2ACVR1
SCHEMBL14682001 0.74 RIPK2 (0.47) TNK2SRCRIPK2NOD2ACVR1
SCHEMBL15787914 0.73 RIPK2 (0.43) TNK2SRCRIPK2NOD2ACVR1
SCHEMBL15785223 0.72 TNK2 (0.39) TNK2SRCRIPK2NOD2ACVR1
SCHEMBL15785299 0.72 RIPK2 (0.39) TNK2SRCRIPK2NOD2ACVR1
SCHEMBL15036122 0.71 RIPK2 (0.47) TNK2SRCRIPK2NOD2ACVR1

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 TNK2 7/4885SRC 26/4885RIPK2 971/4885

“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.