SCHEMBL15035753

SCHEMBL15035753

CCC(CC)c1cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n(Cc2cnsc2S(=O)(=O)C2CCCC2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.38
CCND1 P24385 14/20 0.38
CDK2 P24941 14/20 0.38
CCNA2 P20248 11/20 0.38
FGFR1 P11362 10/20 0.38
FGFR2 P21802 10/20 0.38
FGFR4 P22455 10/20 0.38
FGFR3 P22607 10/20 0.38
CCND2 P30279 2/20 0.35
CCND3 P30281 2/20 0.35
CCNA1 P78396 1/20 0.35
CCNT1 O60563 3/20 0.35
CCNK O75909 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK9 P50750 3/20 0.35
CDK12 Q9NYV4 3/20 0.35
CDK7 P50613 3/20 0.35
CCNH P51946 3/20 0.35
MNAT1 P51948 3/20 0.35
FLT3 P36888 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
SCHEMBL15035801 0.80 CDK4 (0.37) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035678 0.80 BRAF (0.35) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15034983 0.79 CDK2 (0.39) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15237022 0.79 BRAF (0.37) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15034811 0.79 CDK2 (0.37) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15034854 0.78 CDK4 (0.39) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041639 0.76 CDK4 (0.46) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035719 0.76 CDK4 (0.35) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035930 0.76 CDK4 (0.35) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035001 0.76 CDK4 (0.36) 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 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 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.