SCHEMBL2211677

SCHEMBL2211677

CNC(C)C(=O)Nc1cnc(-c2ccccc2C)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ELANE P08246 7/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
P2RX3 P56373 2/20 0.34
BIRC2 Q13490 1/20 0.34
NTRK1 P04629 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
USP1 O94782 1/20 0.33

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
SCHEMBL2211667 1.00 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2211280 0.90 ELANE (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2211274 0.90 ELANE (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1324377 0.89 BIRC2 (0.34) ALDH1A1POLBGRIN1GRIN2BBIRC2
SCHEMBL1324380 0.89 BIRC2 (0.34) ALDH1A1POLBGRIN1GRIN2BBIRC2
SCHEMBL12122040 0.89 BIRC2 (0.34) ALDH1A1POLBGRIN1GRIN2BBIRC2
SCHEMBL2209976 0.85 GRIN1 (0.35) ALDH1A1POLBGRIN1GRIN2BBIRC2
SCHEMBL2211419 0.85 GRIN1 (0.35) ALDH1A1POLBGRIN1GRIN2BBIRC2
SCHEMBL2213492 0.85 ELANE (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2211038 0.85 ELANE (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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 6 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
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 PSEN1 75/4885PSEN2 148/4885APH1B 980/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 PSEN1 75/4885PSEN2 148/4885APH1B 980/4885

“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.