SCHEMBL22553914

SCHEMBL22553914

COc1ncc(-c2cnc(N)c(-c3ccc(N4CCCC4=O)cc3)c2)c2c[nH]nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
TGFBR1 P36897 7/20 0.41
ACVR1 Q04771 7/20 0.39
FYN P06241 3/20 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
CHEK1 O14757 1/20 0.37
GHSR Q92847 1/20 0.37
MAP4K4 O95819 1/20 0.36
MAPT P10636 1/20 0.36
PIP4K2A P48426 1/20 0.36
RIPK2 O43353 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
SCHEMBL30730782 1.00 SMN1; SMN2 (0.42) SMN1; SMN2NPC1HTTTGFBR1ACVR1
SCHEMBL22553970 0.87 CYP11B1 (0.41) SMN1; SMN2NPC1HTTTGFBR1ACVR1
SCHEMBL22578362 0.86 TGFBR1 (0.52) TGFBR1ACVR1FYNRIPK2NOD2
SCHEMBL22553865 0.84 SMN1; SMN2 (0.42) SMN1; SMN2NPC1HTTTGFBR1ACVR1
SCHEMBL30730804 0.84 SMN1; SMN2 (0.42) SMN1; SMN2NPC1HTTTGFBR1ACVR1
SCHEMBL28560346 0.74 MAP4K4 (0.45) TGFBR1ACVR1FYNPRKAB2PRKAG1
SCHEMBL30730839 0.73 TBK1 (0.41) SMN1; SMN2NPC1HTTTGFBR1ACVR1
SCHEMBL22553751 0.73 TBK1 (0.41) SMN1; SMN2NPC1HTTTGFBR1ACVR1
SCHEMBL22554267 0.73 PKM (0.40) SMN1; SMN2NPC1HTTTGFBR1ACVR1
SCHEMBL30730790 0.73 PKM (0.40) SMN1; SMN2NPC1HTTTGFBR1ACVR1

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 SMN1; SMN2 3679/4885NPC1 1648/4885HTT 1981/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C SMN1; SMN2 3679/4885NPC1 1648/4885HTT 1981/4885

“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.