SCHEMBL2209228

SCHEMBL2209228

CN[C@@H](C)C(=O)Nc1cnc(-c2ccc(F)cc2)n(Cc2cncc(-c3ccc4c(c3)OCO4)c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.40
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DYRK1A Q13627 4/20 0.37
CLK1 P49759 1/20 0.37
MAPT P10636 2/20 0.37
INSR P06213 1/20 0.37
ALK Q9UM73 1/20 0.37
WNT1 P04628 1/20 0.37
CTSA P10619 1/20 0.36
POLB P06746 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL2209236 1.00 ELANE (0.40) ELANELMNAUSP2SMN1; SMN2DYRK1A
SCHEMBL2211066 0.90 POLB (0.39) ELANELMNAUSP2SMN1; SMN2DYRK1A
SCHEMBL2211062 0.90 POLB (0.39) ELANELMNAUSP2SMN1; SMN2DYRK1A
SCHEMBL379986 0.89 LMNA (0.38) ELANELMNAUSP2SMN1; SMN2DYRK1A
SCHEMBL379984 0.89 LMNA (0.38) ELANELMNAUSP2SMN1; SMN2DYRK1A
SCHEMBL2207224 0.85 MAPT (0.42) ELANELMNAUSP2SMN1; SMN2DYRK1A
SCHEMBL2207215 0.85 MAPT (0.42) ELANELMNAUSP2SMN1; SMN2DYRK1A
SCHEMBL2211280 0.82 ELANE (0.42) ELANE
SCHEMBL2211274 0.82 ELANE (0.42) ELANE
SCHEMBL2209727 0.81 ELANE (0.43) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US claimed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP claimed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US claimed
EP-2099769-A1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2009-09-16 EP claimed
WO-2008073305-A1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-06-19 WO claimed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 ELANE 592/4885LMNA 1667/4885USP2 450/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 ELANE 592/4885LMNA 1667/4885USP2 450/4885

“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.