SCHEMBL4476843

SCHEMBL4476843

CCOC(=O)N1CCN(c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
NOS2 P35228 5/20 0.40
NOS1 P29475 4/20 0.40
NOS3 P29474 2/20 0.39
CDK2 P24941 6/20 0.37
CDK1 P06493 4/20 0.37
CDK4 P11802 4/20 0.37
CCND1 P24385 3/20 0.37
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
MAPK14 Q16539 1/20 0.36
AURKA O14965 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
AURKB Q96GD4 1/20 0.36
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
JUN P05412 2/20 0.36
LMNA P02545 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
SCHEMBL13638421 0.89 DGAT1 (0.44) DGAT1NOS2NOS1NOS3CDK2
SCHEMBL13633606 0.84 DGAT1 (0.47) DGAT1NOS2NOS1NOS3CDK2
SCHEMBL4498497 0.84 DGAT1 (0.47) DGAT1NOS2NOS1NOS3CDK2
SCHEMBL3470774 0.82 CDK9 (0.40) CDK2CDK1CDK4CCND1AURKA
Ethoxycarbonyl Group SCHEMBL27657170 0.82 IKBKB (0.35) CDK2CDK1CDK4CCND1AURKA
SCHEMBL4500550 0.82 ALDH1A1 (0.41) CDK2CDK1CDK4CCND1CCNK
SCHEMBL27657169 0.81 CDK4 (0.39) CDK2CDK1CDK4CCND1CDK7
SCHEMBL4481557 0.78 CDK4 (0.38) CDK2CDK1CDK4CCND1CDK7
SCHEMBL4491124 0.77 AKT3 (0.42) CDK2CDK1CDK4CCND1MAPK8
SCHEMBL3476590 0.76 AKT3 (0.41) CDK2CDK1CDK4CCND1MAPK8

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 9 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
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 DGAT1 4189/4885NOS2 432/4885NOS1 777/4885

“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.