SCHEMBL15035835

SCHEMBL15035835

CC(C)S(=O)(=O)c1cccnc1Cn1c(=O)c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK2 P24941 3/20 0.36
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK9 P50750 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
PTK2 Q05397 4/20 0.36
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
ALK Q9UM73 5/20 0.35
FLT3 P36888 2/20 0.35
MET P08581 4/20 0.34
BRAF P15056 2/20 0.34
CCNA2 P20248 2/20 0.34
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
CCND2 P30279 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
SCHEMBL15034847 0.80 CDK4 (0.34) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL15041751 0.80 CDK4 (0.34) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL15035060 0.80 CDK2 (0.37) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL15035920 0.79 CDK4 (0.37) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL15041455 0.78 CDK4 (0.36) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL15034956 0.78 IRAK4 (0.35) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL15035713 0.78 PTK2 (0.37) CDK7CCNHMNAT1CDK2CCNT1
SCHEMBL15277129 0.78 JAK2 (0.37) CDK4CCND1FLT3BRAFEGFR
SCHEMBL15277143 0.77 FGFR1 (0.35) CDK2CDK4CCND1CCNA2EGFR
SCHEMBL15041397 0.77 CDK2 (0.35) CDK7CCNHMNAT1CDK2CCNT1

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 4 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-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
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 CDK7 175/4885CCNH 1755/4885MNAT1 1225/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK7 479/4885CCNH 1611/4885MNAT1 336/4885

“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.