SCHEMBL15035920

SCHEMBL15035920

CN(C)CC[S+]([O-])c1ccccc1Cn1c(=O)c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.37
CCND1 P24385 8/20 0.37
CDK2 P24941 6/20 0.34
CCNT1 O60563 2/20 0.34
CCNK O75909 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK9 P50750 2/20 0.34
CDK12 Q9NYV4 2/20 0.34
EGFR P00533 2/20 0.34
CCNA2 P20248 4/20 0.34
FGFR1 P11362 4/20 0.34
FGFR2 P21802 3/20 0.34
FGFR4 P22455 3/20 0.34
FGFR3 P22607 3/20 0.34
FLT3 P36888 2/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CCND2 P30279 2/20 0.32
CCND3 P30281 2/20 0.32

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
SCHEMBL15041455 0.96 CDK4 (0.36) CDK4CCND1CDK2CCNT1CCNK
SCHEMBL15035713 0.83 PTK2 (0.37) CDK4CCND1CDK2CCNT1CCNK
SCHEMBL15041401 0.81 FLT3 (0.37) CDK4CDK2CCNT1CCNKCCNE1
SCHEMBL15035738 0.80 CCNA2 (0.39) CDK4CCND1CDK2CCNT1CDK9
SCHEMBL15035060 0.80 CDK2 (0.37) CDK4CCND1CDK2CCNT1CCNK
SCHEMBL15035835 0.79 CDK7 (0.40) CDK4CCND1CDK2CCNT1CCNK
SCHEMBL15236999 0.78 PRKCI (0.38) CDK4CCND1CDK2EGFRCCNA2
SCHEMBL15041397 0.78 CDK2 (0.35) CDK4CCND1CDK2CCNT1CCNK
SCHEMBL15277143 0.78 FGFR1 (0.35) CDK4CCND1CDK2EGFRCCNA2
SCHEMBL15280135 0.77 ADORA2A (0.40) CDK4CCND1CDK2EGFRCCNA2

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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 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 (2 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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 CDK4 441/4885CCND1 4422/4885CDK2 211/4885
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.