Sugi Predict

Sugi Predict / Compounds / SCHEMBL2212977

SCHEMBL2212977

SCHEMBL2212977

CN[C@@H](C)C(=O)Nc1ncc(-c2ccc(F)cc2)n(Cc2cncc(NCc3ccc(F)cc3)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ KCNH2 Q12809 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CLK1 P49759 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ P4HTM Q9NXG6 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 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
SCHEMBL380706 0.88 ELANE (0.36) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL2211017 0.85 CHRNA7 (0.37) DYRK1AFYNF7NTRK1
SCHEMBL2211021 0.85 CHRNA7 (0.37) DYRK1AFYNF7NTRK1
SCHEMBL2211840 0.84 P2RX3 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL2212589 0.84 P2RX3 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL2209253 0.84 ELANE (0.41) ALDH1A1PIM1AURKAABL1NTRK1
SCHEMBL2212981 0.84 GLA (0.33) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL2212548 0.84 GLA (0.33) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL2207224 0.80 MAPT (0.42) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL2207215 0.80 MAPT (0.42) GAAALDH1A1KDM4EMEN1KMT2A

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 7 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-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 GAA 301/4885ALDH1A1 3484/4885KDM4E 3564/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 GAA 301/4885ALDH1A1 3484/4885KDM4E 3564/4885

“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.