SCHEMBL22553938

SCHEMBL22553938

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.43
DGAT2 Q96PD7 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
CYP11B2 P19099 1/20 0.37
HTT P42858 1/20 0.37
CD38 P28907 1/20 0.37
ATM Q13315 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
TNIK Q9UKE5 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL30730826 1.00 NUDT1 (0.43) NUDT1DGAT2TBK1NPC1SMN1; SMN2
SCHEMBL30731117 1.00 NUDT1 (0.43) NUDT1DGAT2TBK1NPC1SMN1; SMN2
SCHEMBL30730775 0.92 PKM (0.41) NUDT1DGAT2TBK1NPC1SMN1; SMN2
SCHEMBL22553840 0.92 PKM (0.41) NUDT1DGAT2TBK1NPC1SMN1; SMN2
SCHEMBL22553907 0.92 NUDT1 (0.41) NUDT1DGAT2TBK1NPC1SMN1; SMN2
SCHEMBL30730786 0.92 NUDT1 (0.41) NUDT1DGAT2TBK1NPC1SMN1; SMN2
SCHEMBL22553861 0.91 NUDT1 (0.41) NUDT1DGAT2TBK1NPC1SMN1; SMN2
SCHEMBL22554168 0.91 NUDT1 (0.41) NUDT1DGAT2TBK1NPC1SMN1; SMN2
SCHEMBL30777590 0.91 NUDT1 (0.41) NUDT1DGAT2TBK1NPC1SMN1; SMN2
SCHEMBL30730842 0.91 NUDT1 (0.41) NUDT1DGAT2TBK1NPC1SMN1; SMN2

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 8 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
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-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 CN disclosed
EP-3728230-A1 ARYL-BIPYRIDINE AMINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS Ravenna Pharmaceuticals, Inc. (US) 2020-10-28 EP 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 NUDT1 2148/4885DGAT2 4196/4885TBK1 714/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C NUDT1 2148/4885DGAT2 4196/4885TBK1 714/4885

“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.