SCHEMBL15035587

SCHEMBL15035587

CCOc1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(C2CCc3ccccc3C2=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.44
MAP4K1 Q92918 6/20 0.44
TNK2 Q07912 2/20 0.44
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
FGFR1 P11362 2/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
PAK4 O96013 1/20 0.43
PKN1 Q16512 1/20 0.43
JAK2 O60674 2/20 0.41
BRD4 O60885 2/20 0.41
WEE1 P30291 3/20 0.41
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CSF1R P07333 2/20 0.40
PIK3CD O00329 1/20 0.40
PRKAB2 O43741 1/20 0.40
NUAK1 O60285 1/20 0.40

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
SCHEMBL15035483 0.83 TNK2 (0.43) JAK3MAP4K1TNK2CDK4CCND1
SCHEMBL15035384 0.82 CDK4 (0.45) JAK3MAP4K1TNK2CDK4CCND1
SCHEMBL15035545 0.81 MAP4K1 (0.45) JAK3MAP4K1TNK2CDK4CCND1
SCHEMBL15035316 0.78 TNK2 (0.45) TNK2WEE1SRC
SCHEMBL15035338 0.78 CDK4 (0.44) JAK3MAP4K1TNK2CDK4CCND1
SCHEMBL15035418 0.77 CDK4 (0.51) JAK3CDK4CCND1FGFR1FGFR2
SCHEMBL15041806 0.76 CDK4 (0.52) JAK3CDK4CCND1FGFR1FGFR2
SCHEMBL15035364 0.75 CDK4 (0.46) TNK2CDK4CCND1FGFR1FGFR2
SCHEMBL15034989 0.74 JAK3 (0.43) JAK3MAP4K1TNK2CDK4CCND1
SCHEMBL15035567 0.74 TNK2 (0.43) TNK2CDK4CCND1FGFR1FGFR2

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 JAK3 1901/4885MAP4K1 84/4885TNK2 7/4885

“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.