SCHEMBL15035918

SCHEMBL15035918

Cc1ccccc1Oc1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2nn(C)cc2S(C)(=O)=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
JAK3 P52333 2/20 0.41
TYK2 P29597 1/20 0.41
MAPK14 Q16539 4/20 0.38
MAPK8 P45983 3/20 0.37
CAMK2D Q13557 1/20 0.36
RIPK2 O43353 2/20 0.35
NOD2 Q9HC29 2/20 0.35
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR4 P22455 2/20 0.35
FGFR3 P22607 2/20 0.35
TNK2 Q07912 2/20 0.35
SRC P12931 2/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL15041428 0.93 MAPK14 (0.43) JAK2JAK1JAK3TYK2MAPK14
SCHEMBL15035055 0.81 MAPK8 (0.38) JAK2JAK1JAK3TYK2MAPK14
SCHEMBL15034842 0.80 MAPK8 (0.38) JAK2JAK1JAK3TYK2MAPK14
SCHEMBL15035707 0.80 CDK4 (0.39) JAK2JAK1JAK3TYK2MAPK8
SCHEMBL15035682 0.80 CDK4 (0.44) JAK3CDK4CCND1CCNA2CDK2
SCHEMBL15034951 0.79 CDK4 (0.37) JAK2JAK1JAK3TYK2MAPK8
SCHEMBL15035811 0.78 PTK2 (0.41) JAK2JAK1JAK3MAPK14MAPK8
SCHEMBL15035827 0.77 MAPK8 (0.35) JAK2JAK1JAK3TYK2MAPK8
SCHEMBL15035468 0.73 CDK4 (0.41) JAK2JAK1JAK3TYK2MAPK8
SCHEMBL15041203 0.73 MAPK8 (0.43) MAPK14MAPK8CDK4CCND1CCNA2

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 JAK2 720/4885JAK1 1718/4885JAK3 1901/4885

“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.