Sugi Predict

Sugi Predict / Compounds / SCHEMBL2207215

SCHEMBL2207215

SCHEMBL2207215

CN[C@@H](C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(Cc2cncc(-c3ccc4c(c3)OCO4)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KMT2A Q03164 2/20 0.37
▸ ALK Q9UM73 2/20 0.37
▸ FYN P06241 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ INSR P06213 1/20 0.37
▸ EDNRB P24530 4/20 0.37
▸ DYRK1A Q13627 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ ELANE P08246 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
SCHEMBL2207224 1.00 MAPT (0.42) MAPTLMNATSHRMAPK1NPSR1
SCHEMBL2209340 0.90 MAPT (0.39) MAPTLMNATSHRMAPK1NPSR1
SCHEMBL2209334 0.90 MAPT (0.39) MAPTLMNATSHRMAPK1NPSR1
SCHEMBL379986 0.89 LMNA (0.38) MAPTLMNATSHRMAPK1NPSR1
SCHEMBL379984 0.89 LMNA (0.38) MAPTLMNATSHRMAPK1NPSR1
SCHEMBL2209236 0.85 ELANE (0.40) MAPTLMNATSHRMAPK1NPSR1
SCHEMBL2209228 0.85 ELANE (0.40) MAPTLMNATSHRMAPK1NPSR1
SCHEMBL2211021 0.82 CHRNA7 (0.37) FYNDYRK1A
SCHEMBL2211017 0.82 CHRNA7 (0.37) FYNDYRK1A
SCHEMBL2211840 0.81 P2RX3 (0.38) MAPTLMNAMAPK1NPSR1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 — — 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
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
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 — — 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
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 — — US 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 MAPT 520/4885LMNA 1667/4885TSHR 4823/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 MAPT 520/4885LMNA 1667/4885TSHR 4823/4885

“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.