SCHEMBL22553745

SCHEMBL22553745

O=C(c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2[nH]1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.45
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NUDT1 P36639 1/20 0.41
NPC1 O15118 1/20 0.40
DGAT2 Q96PD7 1/20 0.38
CYP11B2 P19099 1/20 0.37
CD38 P28907 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
HPGDS O60760 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 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
SCHEMBL30730776 0.93 TBK1 (0.49) TBK1HPGDALDH1A1NUDT1NPC1
SCHEMBL22554205 0.93 TBK1 (0.49) TBK1HPGDALDH1A1NUDT1NPC1
SCHEMBL22553975 0.90 TBK1 (0.44) TBK1HPGDALDH1A1NUDT1NPC1
SCHEMBL30730801 0.90 TBK1 (0.44) TBK1HPGDALDH1A1NUDT1NPC1
SCHEMBL30731110 0.89 NUDT1 (0.46) TBK1ALDH1A1NUDT1NPC1DGAT2
SCHEMBL22553938 0.88 NUDT1 (0.43) TBK1HPGDALDH1A1NUDT1NPC1
SCHEMBL30730826 0.88 NUDT1 (0.43) TBK1HPGDALDH1A1NUDT1NPC1
SCHEMBL22554135 0.88 NUDT1 (0.57) TBK1ALDH1A1NUDT1NPC1DGAT2
SCHEMBL30731117 0.88 NUDT1 (0.43) TBK1HPGDALDH1A1NUDT1NPC1
SCHEMBL22553965 0.87 TBK1 (0.39) TBK1HPGDALDH1A1NUDT1NPC1

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 10 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
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN claimed
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 CN claimed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 EP 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
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 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 714/4885HPGD 3902/4885ALDH1A1 4524/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C TBK1 714/4885HPGD 3902/4885ALDH1A1 4524/4885

“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.