Sugi Predict

Sugi Predict / Compounds / SCHEMBL22553751

SCHEMBL22553751

SCHEMBL22553751

COC(=O)c1cc2c(-c3cnc(N)c(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 2/20 0.41
▸ DGAT2 Q96PD7 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ TGFBR1 P36897 2/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 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
SCHEMBL30730839 1.00 TBK1 (0.41) TBK1DGAT2SMN1; SMN2MAPTNPC1
SCHEMBL22553938 0.88 NUDT1 (0.43) TBK1DGAT2SMN1; SMN2MAPTNPC1
SCHEMBL30730826 0.88 NUDT1 (0.43) TBK1DGAT2SMN1; SMN2MAPTNPC1
SCHEMBL30731117 0.88 NUDT1 (0.43) TBK1DGAT2SMN1; SMN2MAPTNPC1
SCHEMBL22554042 0.85 DGAT2 (0.40) TBK1DGAT2SMN1; SMN2MAPTNPC1
SCHEMBL30730806 0.85 DGAT2 (0.40) TBK1DGAT2SMN1; SMN2MAPTNPC1
SCHEMBL22553861 0.82 NUDT1 (0.41) TBK1DGAT2SMN1; SMN2MAPTNPC1
SCHEMBL30777590 0.82 NUDT1 (0.41) TBK1DGAT2SMN1; SMN2MAPTNPC1
SCHEMBL22554168 0.82 NUDT1 (0.41) TBK1DGAT2SMN1; SMN2MAPTNPC1
SCHEMBL30730817 0.82 NUDT1 (0.41) TBK1DGAT2SMN1; SMN2MAPTNPC1

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-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 — — US claimed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 — — US claimed
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2024-03-05 — — US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 — — CN disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 — — US disclosed
US-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL, INC. 2020-10-22 — — 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-20200331913-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1A, PIP5K1B, PIP5K1C TBK1 714/4885DGAT2 4196/4885SMN1; SMN2 3679/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C TBK1 714/4885DGAT2 4196/4885SMN1; SMN2 3679/4885

“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.