Sugi Predict

Sugi Predict / Compounds / SCHEMBL4500550

SCHEMBL4500550

SCHEMBL4500550

CCOC(=O)c1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ AKT3 Q9Y243 11/20 0.40
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CDK2 P24941 3/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ CCNA1 P78396 2/20 0.36

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
SCHEMBL13638569 0.87 AKT3 (0.37) AKT3CDK2CDK1CDK4CCNB1
SCHEMBL3470259 0.86 AKT3 (0.42) ALDH1A1MEN1KMT2AAKT3KDM4E
SCHEMBL4491124 0.86 AKT3 (0.42) AKT3CDK2CDK1CDK4CCNB1
SCHEMBL3477634 0.85 AKT3 (0.38) AKT3CDK2JUNMAPK8MAPK9
SCHEMBL3476590 0.84 AKT3 (0.41) AKT3CDK2CDK1CDK4CCNB1
SCHEMBL4476843 0.82 DGAT1 (0.45) NPSR1SMN1; SMN2MAPTCDK2CDK1
SCHEMBL3475881 0.82 KCNH2 (0.38) AKT3CDK2CDK1CDK4CCNB1
SCHEMBL13633646 0.81 AKT3 (0.66) AKT3
SCHEMBL3471170 0.80 AKT3 (0.55) AKT3GAA
SCHEMBL5793863 0.79 AKT3 (0.61) AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 — — EP disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 — — US disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 — — US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 — — US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 — — US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 — — US disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 — — EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 — — WO 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 (1 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK ALDH1A1 2035/4885MEN1 4134/4885KMT2A 1582/4885

“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.