SCHEMBL15035799

SCHEMBL15035799

CN1CCCCC1c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2cnoc2S(C)(=O)=O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.38
CCND1 P24385 13/20 0.38
CCNA2 P20248 10/20 0.38
CDK2 P24941 10/20 0.38
FGFR1 P11362 8/20 0.38
FGFR2 P21802 8/20 0.38
FGFR4 P22455 8/20 0.38
FGFR3 P22607 8/20 0.38
AURKA O14965 6/20 0.37
CDK1 P06493 6/20 0.37
CCNB1 P14635 6/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCND2 P30279 2/20 0.35
CCND3 P30281 2/20 0.35
CCNA1 P78396 1/20 0.35
AXL P30530 1/20 0.35

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
SCHEMBL15034911 0.85 CDK4 (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035888 0.82 FGFR4 (0.40) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15034804 0.81 CDK4 (0.38) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035019 0.80 CDK4 (0.37) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035666 0.78 CDK4 (0.35) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035648 0.76
SCHEMBL15035318 0.74 CDK4 (0.42) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15237034 0.74 CDK4 (0.40) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035430 0.72 CDK4 (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035533 0.72 CDK4 (0.39) CDK4CCND1CCNA2CDK2FGFR1

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 4422/4885CCNA2 3343/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CCNA2 2011/4885

“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.