Sugi Predict

Sugi Predict / Compounds / SCHEMBL15035633

SCHEMBL15035633

SCHEMBL15035633

CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5ccccc5[S+](C)[O-])c4n3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 11/20 0.68
▸ CCND1 P24385 11/20 0.68
▸ CCND2 P30279 11/20 0.68
▸ CCND3 P30281 11/20 0.68
▸ JAK3 P52333 9/20 0.58
▸ CCNE2 O96020 3/20 0.58
▸ CCNA2 P20248 3/20 0.58
▸ CCNE1 P24864 3/20 0.58
▸ CDK2 P24941 3/20 0.58
▸ CCNA1 P78396 3/20 0.58
▸ CCNB2 O95067 2/20 0.58
▸ CDK1 P06493 2/20 0.58
▸ FGFR1 P11362 2/20 0.58
▸ CCNB1 P14635 2/20 0.58
▸ FGFR2 P21802 2/20 0.58
▸ FGFR4 P22455 2/20 0.58
▸ FGFR3 P22607 2/20 0.58
▸ CCNB3 Q8WWL7 2/20 0.58
▸ JAK2 O60674 1/20 0.58
▸ EGFR P00533 1/20 0.58

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
SCHEMBL13345450 0.89 CDK4 (0.64) CDK4CCND1CCND2CCND3JAK3
SCHEMBL659837 0.88 CDK4 (0.63) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192679 0.88 CDK4 (0.73) CDK4CCND1CCND2CCND3JAK3
SCHEMBL659547 0.87 CDK4 (0.72) CDK4CCND1CCND2CCND3JAK3
SCHEMBL12676578 0.87 CDK4 (0.72) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192660 0.87 CDK4 (0.72) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192671 0.87 CDK4 (0.72) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192713 0.86 CDK4 (0.70) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192667 0.85 CDK4 (0.69) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192646 0.85 CDK4 (0.77) CDK4CCND1CCND2CCND3JAK3

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 4422/4885CCND2 4414/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CCND2 2332/4885

“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.