SCHEMBL15035637

SCHEMBL15035637

C=C(c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2ccncc2S(=O)(=O)C(C)C)c1=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.38
CCNA2 P20248 5/20 0.38
CCND1 P24385 5/20 0.38
CDK2 P24941 5/20 0.38
FGFR1 P11362 4/20 0.38
FGFR2 P21802 4/20 0.38
FGFR4 P22455 4/20 0.38
FGFR3 P22607 4/20 0.38
PTK2 Q05397 4/20 0.36
BRAF P15056 1/20 0.35
CAMK2D Q13557 1/20 0.35
ALK Q9UM73 5/20 0.35
RIPK2 O43353 4/20 0.35
NOD2 Q9HC29 4/20 0.35
INSR P06213 3/20 0.35
KCNH2 Q12809 2/20 0.35
ACVR1 Q04771 3/20 0.34

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
SCHEMBL15041350 0.94 CDK4 (0.39) CDK4CCNA2CCND1CDK2FGFR1
SCHEMBL15277126 0.86 PTK2 (0.40) CDK4CCNA2CCND1CDK2FGFR1
SCHEMBL15035004 0.77 CDK4 (0.37) CDK4CCNA2CCND1CDK2FGFR1
SCHEMBL15035774 0.76 PLK2 (0.39) CDK4CCND1CAMK2DALKRIPK2
SCHEMBL15041753 0.75 CDK4 (0.40) CDK4CCNA2CCND1CDK2FGFR1
SCHEMBL15041761 0.74 CAMK2D (0.41) CDK4CCNA2CCND1CDK2FGFR1
SCHEMBL15041427 0.74 CAMK2D (0.41) CDK4CCNA2CCND1CDK2CAMK2D
SCHEMBL15035786 0.73 FGFR1 (0.44) CDK4CCNA2CCND1CDK2FGFR1
SCHEMBL15034772 0.73 CDK4 (0.39) CDK4CCNA2CCND1CDK2FGFR1
SCHEMBL15035718 0.72 CDK4 (0.35) CDK4CCNA2CCND1CDK2FGFR1

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 CDK4 404/4885CCNA2 2011/4885CCND1 2153/4885

“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.