SCHEMBL2211840

SCHEMBL2211840

CN[C@@H](C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(Cc2cncc(Oc3ccc(F)cc3)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.38
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
FYN P06241 1/20 0.35
CHRNA7 P36544 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
XDH P47989 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
FPR1 P21462 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 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
SCHEMBL2212589 1.00 P2RX3 (0.38) P2RX3GRIN1GRIN2BFYNCHRNA7
SCHEMBL380328 0.87 P2RX3 (0.38) P2RX3XDHPRMT5WDR77FPR2
SCHEMBL380488 0.87 P2RX3 (0.38) P2RX3XDHPRMT5WDR77FPR2
SCHEMBL14174356 0.86 P2RX3 (0.41) P2RX3GRIN1GRIN2BCHRNA7LMNA
SCHEMBL2211017 0.86 CHRNA7 (0.37) GRIN1GRIN2BFYNCHRNA7
SCHEMBL2211021 0.86 CHRNA7 (0.37) GRIN1GRIN2BFYNCHRNA7
SCHEMBL2212548 0.84 GLA (0.33) GRIN1GRIN2BLMNACYP1A2CYP3A4
SCHEMBL2212981 0.84 GLA (0.33) GRIN1GRIN2BLMNACYP1A2CYP3A4
SCHEMBL2212977 0.84 GAA (0.38) FYNL3MBTL1FPR1CYP1A2CYP3A4
SCHEMBL380513 0.84 ELANE (0.40) P2RX3

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 15 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
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
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 P2RX3 3724/4885GRIN1 3077/4885GRIN2B 3299/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 P2RX3 3724/4885GRIN1 3077/4885GRIN2B 3299/4885

“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.