SCHEMBL15035291

SCHEMBL15035291

Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(C3CCc4ccccc4C3=O)c2=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.42
NOD2 Q9HC29 2/20 0.42
TNK2 Q07912 7/20 0.42
FGFR1 P11362 4/20 0.40
MAPK14 Q16539 2/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
PDGFRB P09619 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
PAK4 O96013 3/20 0.39
PKN1 Q16512 3/20 0.39
PAK1 Q13153 3/20 0.39
CDK2 P24941 5/20 0.38
CCNT1 O60563 1/20 0.38
CCNK O75909 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 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
SCHEMBL15035407 0.88 TNK2 (0.42) RIPK2NOD2TNK2FGFR1MAPK14
SCHEMBL15035331 0.83 TNK2 (0.40) RIPK2NOD2TNK2FGFR1MAPK14
SCHEMBL15035445 0.83 RIPK2 (0.43) RIPK2NOD2TNK2FGFR1MAPK14
SCHEMBL15035548 0.82 RIPK2 (0.43) RIPK2NOD2TNK2FGFR1MAPK14
SCHEMBL15035341 0.79 RIPK2 (0.41) RIPK2NOD2TNK2FGFR1MAPK14
SCHEMBL15035472 0.77 CDK4 (0.40) FGFR1CDK2CCNE1CDK4CCNA2
SCHEMBL15035469 0.75 RIPK2 (0.41) RIPK2NOD2TNK2FGFR1MAPK14
SCHEMBL15034883 0.75 TNK2 (0.42) RIPK2NOD2TNK2FGFR1EGFR
SCHEMBL15034773 0.74 TNK2 (0.44) RIPK2NOD2TNK2MAPK14PAK4
SCHEMBL15035644 0.74 TNK2 (0.43) RIPK2NOD2TNK2FGFR1EGFR

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 RIPK2 971/4885NOD2 4628/4885TNK2 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.