SCHEMBL22553965

SCHEMBL22553965

O=C(c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2[nH]1)N1CCCC(O)(C2CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.39
NUDT1 P36639 2/20 0.35
NPC1 O15118 1/20 0.34
CASP3 P42574 3/20 0.34
CDK9 P50750 3/20 0.34
CASP7 P55210 3/20 0.34
CDK12 Q9NYV4 3/20 0.34
CDK1 P06493 2/20 0.34
CDK2 P24941 2/20 0.34
GSK3B P49841 2/20 0.34
CDK7 P50613 2/20 0.34
DGAT2 Q96PD7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CCNK O75909 1/20 0.32
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
CD38 P28907 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL30730787 1.00 TBK1 (0.39) TBK1NUDT1NPC1CASP3CDK9
SCHEMBL22553745 0.87 TBK1 (0.45) TBK1NUDT1NPC1CASP3CDK9
SCHEMBL22554106 0.86 TBK1 (0.39) TBK1NUDT1NPC1CASP3CDK9
SCHEMBL30731170 0.86 TBK1 (0.39) TBK1NUDT1NPC1CASP3CDK9
SCHEMBL22554205 0.83 TBK1 (0.49) TBK1NUDT1NPC1CDK9ALDH1A1
SCHEMBL30730776 0.83 TBK1 (0.49) TBK1NUDT1NPC1CDK9ALDH1A1
SCHEMBL30730801 0.81 TBK1 (0.44) TBK1NUDT1NPC1DGAT2ALDH1A1
SCHEMBL22553975 0.81 TBK1 (0.44) TBK1NUDT1NPC1DGAT2ALDH1A1
SCHEMBL30731110 0.81 NUDT1 (0.46) TBK1NUDT1NPC1CDK12DGAT2
SCHEMBL22554167 0.80 NUDT1 (0.51) TBK1NUDT1NPC1DGAT2HPGD

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 714/4885NUDT1 2148/4885NPC1 1648/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C TBK1 714/4885NUDT1 2148/4885NPC1 1648/4885

“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.