SCHEMBL15041606

SCHEMBL15041606

CN(C)CC[S+]([O-])c1c(Cn2c(=O)c(C(=O)N(C)C)cc3cnc(Nc4ccc(C5CCNC5)cc4)nc32)nnn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.38
CCND1 P24385 8/20 0.38
CDK2 P24941 5/20 0.38
CCNA2 P20248 3/20 0.38
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR4 P22455 2/20 0.38
FGFR3 P22607 2/20 0.38
CDK9 P50750 3/20 0.36
CDK1 P06493 2/20 0.36
CSF1R P07333 2/20 0.36
CCNT1 O60563 2/20 0.35
PTK2 Q05397 1/20 0.35
CCND3 P30281 6/20 0.35
CCNE1 P24864 2/20 0.35
CDK6 Q00534 2/20 0.35
JAK3 P52333 2/20 0.35
CDK3 Q00526 1/20 0.34
CDK5R1 Q15078 1/20 0.34
HDAC1 Q13547 1/20 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
SCHEMBL15035730 0.93 FGFR1 (0.36) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035875 0.81 PTK2 (0.39) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041393 0.78 CDK4 (0.38) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15280138 0.77 CDK4 (0.39) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041221 0.77 CDK4 (0.39) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15277162 0.77 PTK2 (0.39) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035688 0.76 CDK4 (0.39) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041771 0.74 CDK4 (0.39) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041210 0.74 CDK4 (0.38) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041634 0.74 CDK4 (0.37) CDK4CCND1CDK2CCNA2FGFR1

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 404/4885CCND1 2153/4885CDK2 183/4885

“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.