SCHEMBL15036142

SCHEMBL15036142

CN1CCC(Oc2ccc(Nc3ncc4cc(-c5cc([S+]([O-])c6ccccc6)cs5)c(=O)n(CC(=O)N5CCCC5)c4n3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.43
TNK2 Q07912 7/20 0.41
SRC P12931 1/20 0.41
RIPK2 O43353 2/20 0.40
ACVR1 Q04771 2/20 0.40
NOD2 Q9HC29 2/20 0.40
AXL P30530 4/20 0.39
FGFR1 P11362 2/20 0.38
FGFR2 P21802 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
SCHEMBL16309201 0.88 CAMK2D (0.44) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL15281139 0.80 TNK2 (0.44) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL15281043 0.79 CAMK2D (0.44) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL13553920 0.78 CAMK2D (0.43) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL15041484 0.77 FGFR1 (0.44) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL15281078 0.77 CDK4 (0.37) AXLFGFR1FGFR2WEE1
SCHEMBL15041481 0.77 CAMK2D (0.43) CAMK2DTNK2SRCRIPK2ACVR1
SCHEMBL15035795 0.76 PKN1 (0.55) TNK2SRCRIPK2ACVR1NOD2
SCHEMBL15041673 0.76 TNK2 (0.42) TNK2SRCRIPK2ACVR1NOD2
SCHEMBL14681967 0.75 PAK3 (0.45) CAMK2DTNK2SRCRIPK2ACVR1

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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
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 CAMK2D 469/4885TNK2 7/4885SRC 26/4885

“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.