SCHEMBL15041609

SCHEMBL15041609

CN1NNC(Cn2c(=O)c(Oc3ccccc3F)cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc32)=C1[S+]([O-])c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.40
MAPK14 Q16539 10/20 0.39
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
CAMK2D Q13557 1/20 0.33

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
SCHEMBL15035827 0.94 MAPK8 (0.35) MAPK8JAK2JAK1TYK2JAK3
SCHEMBL15041191 0.80 MAPK8 (0.40) MAPK8MAPK14
SCHEMBL15041203 0.77 MAPK8 (0.43) MAPK8MAPK14
SCHEMBL15041428 0.77 MAPK14 (0.43) MAPK8MAPK14JAK2JAK1TYK2
SCHEMBL15041749 0.77 MAPK8 (0.42) MAPK8MAPK14CAMK2D
SCHEMBL15041364 0.74 MAPK8 (0.39) MAPK8MAPK14
SCHEMBL15034951 0.74 CDK4 (0.37) MAPK8JAK2JAK1TYK2JAK3
SCHEMBL15041376 0.74 MAPK14 (0.36) MAPK8MAPK14
SCHEMBL15035858 0.72 CDK4 (0.38)
SCHEMBL15041580 0.71 MAPK8 (0.43) MAPK8MAPK14

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 MAPK8 493/4885MAPK14 382/4885JAK2 720/4885

“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.