Sugi Predict

Sugi Predict / Compounds / SCHEMBL15036075

SCHEMBL15036075

SCHEMBL15036075

O=c1c(-c2nccn2S(=O)(=O)c2cncs2)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n1CCN1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN1 Q16512 2/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ PAK3 O75914 2/20 0.37
▸ PAK1 Q13153 2/20 0.37
▸ PAK2 Q13177 2/20 0.37
▸ AURKA O14965 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ TNK2 Q07912 9/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ WEE1 P30291 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ BRDT Q58F21 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
SCHEMBL15036033 0.80 PAK4 (0.50) PKN1PAK4PAK1AURKACDK1
SCHEMBL15036156 0.78 PAK4 (0.47) PKN1PAK4PAK3PAK1PAK2
SCHEMBL15036119 0.77 AURKA (0.40) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL15281640 0.76 TNK2 (0.37) PKN1PAK4PAK3PAK1PAK2
SCHEMBL15041651 0.75 AURKA (0.39) PKN1PAK4AURKACDK1CCNB1
SCHEMBL14682056 0.75 PAK4 (0.43) PKN1PAK4PAK1AURKACDK1
SCHEMBL15041695 0.75 TNK2 (0.35) PKN1PAK4PAK3PAK1PAK2
SCHEMBL15035970 0.73 JAK2 (0.39) JAK2BRD4JAK3WEE1JAK1
SCHEMBL13553625 0.73 TNK2 (0.41) PKN1PAK4TNK2JAK3
SCHEMBL13553940 0.72 PAK4 (0.49) PKN1PAK4PAK3PAK1PAK2

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 PKN1 534/4885PAK4 5/4885PAK3 3/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PKN1 326/4885PAK4 5/4885PAK3 6/4885

“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.