SCHEMBL22554087

SCHEMBL22554087

COc1cc(-c2cncc(-c3ccc(N4CCCC4=O)cc3)c2)c2c[nH]nc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
CHEK1 O14757 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
TGFBR1 P36897 2/20 0.35
PIP4K2A P48426 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
SCHEMBL22553776 0.87 PRKAB2 (0.41) NPC1CYP11B1CYP11B2CCNCCDK8
SCHEMBL30730783 0.85 SMN1; SMN2 (0.43) SMN1; SMN2NPC1HTTCYP11B1CYP11B2
SCHEMBL22554014 0.85 PRKAB2 (0.36) NPC1CYP11B1CYP11B2CCNCCDK8
SCHEMBL22554127 0.85 SMN1; SMN2 (0.43) SMN1; SMN2NPC1HTTCYP11B1CYP11B2
SCHEMBL22553985 0.83 PIM1 (0.39) SMN1; SMN2NPC1HTTCYP11B1CYP11B2
SCHEMBL22553790 0.81 CCNC (0.39) NPC1CYP11B1CYP11B2CCNCCDK8
SCHEMBL22553970 0.80 CYP11B1 (0.41) SMN1; SMN2NPC1HTTCYP11B1CYP11B2
SCHEMBL22553763 0.77 CD38 (0.41) NPC1CYP11B1CYP11B2CCNCCDK8
SCHEMBL22553843 0.74 CD38 (0.39) SMN1; SMN2NPC1HTTCYP11B1CYP11B2
SCHEMBL30730815 0.74 CD38 (0.39) SMN1; SMN2NPC1HTTCYP11B1CYP11B2

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 11 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
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 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.