Sugi Predict

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SCHEMBL15036031

SCHEMBL15036031

CC(C)n1c(=O)c(-c2nc(S(=O)(=O)c3ccccc3)cn2C)cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.42
▸ CDK4 P11802 3/20 0.40
▸ CCND1 P24385 3/20 0.40
▸ CCND2 P30279 2/20 0.40
▸ CCND3 P30281 2/20 0.40
▸ FGFR4 P22455 3/20 0.39
▸ FGFR1 P11362 3/20 0.39
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ FGFR2 P21802 2/20 0.39
▸ FGFR3 P22607 2/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ WEE1 P30291 8/20 0.39
▸ SRC P12931 2/20 0.39

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
SCHEMBL13553496 0.79 EGFR (0.43) EGFRCDK4CCND1CCND2CCND3
SCHEMBL15036106 0.78 WEE1 (0.38) FGFR1WEE1SRCRIPK2ACVR1
SCHEMBL15041721 0.76 MAPK8 (0.46) CDK4CCND1CCND2CCND3FGFR4
SCHEMBL15041693 0.76 PAK1 (0.40) FGFR1WEE1SRCRIPK2ACVR1
SCHEMBL15036126 0.75 TNK2 (0.45) CDK4CCND1CCND2CCND3SRC
SCHEMBL15788011 0.74 PKN1 (0.42) EGFRCDK4CCND1CCND2CCND3
SCHEMBL15041684 0.73 PAK3 (0.39) EGFRCDK4CCND1CCND2CCND3
SCHEMBL15036072 0.73 CDK4 (0.58) CDK4CCND1CCND2CCND3FGFR4
SCHEMBL14682009 0.73 MAPK8 (0.39) EGFRCDK4CCND1CCND2CCND3
SCHEMBL14693016 0.71 SRC (0.39) EGFRCDK4CCND1CCND2CCND3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 — — US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 — — US disclosed
US-20130252966-A1 6-(SULFONYLARYL)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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 EGFR 2713/4885CDK4 471/4885CCND1 4379/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 EGFR 737/4885CDK4 404/4885CCND1 2153/4885

“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.