SCHEMBL22554042

SCHEMBL22554042

COC(=O)c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3C)ccnc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
NUDT1 P36639 1/20 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
NPC1 O15118 1/20 0.37
ACVR1 Q04771 7/20 0.37
TGFBR1 P36897 4/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNIK Q9UKE5 2/20 0.36
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL30730806 1.00 DGAT2 (0.40) DGAT2TBK1NUDT1PRKAB2PRKAG1
SCHEMBL22554290 0.89 CCNK (0.47) DGAT2TBK1NUDT1PRKAB2PRKAG1
SCHEMBL22553938 0.88 NUDT1 (0.43) DGAT2TBK1NUDT1PRKAB2PRKAG1
SCHEMBL30731117 0.88 NUDT1 (0.43) DGAT2TBK1NUDT1PRKAB2PRKAG1
SCHEMBL30730826 0.88 NUDT1 (0.43) DGAT2TBK1NUDT1PRKAB2PRKAG1
SCHEMBL22553751 0.85 TBK1 (0.41) DGAT2TBK1NUDT1PRKAB2PRKAG1
SCHEMBL30730839 0.85 TBK1 (0.41) DGAT2TBK1NUDT1PRKAB2PRKAG1
SCHEMBL22554168 0.84 NUDT1 (0.41) DGAT2TBK1NUDT1NPC1MAPT
SCHEMBL22553861 0.84 NUDT1 (0.41) DGAT2TBK1NUDT1NPC1MAPT
SCHEMBL30777590 0.84 NUDT1 (0.41) DGAT2TBK1NUDT1NPC1MAPT

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-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
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 DGAT2 4196/4885TBK1 714/4885NUDT1 2148/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C DGAT2 4196/4885TBK1 714/4885NUDT1 2148/4885

“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.