SCHEMBL22554045

SCHEMBL22554045

O=C1CCCN1c1ccc(-c2cncc(-c3ccc(=O)[nH]c3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
NPC1 O15118 1/20 0.42
CYP11B2 P19099 5/20 0.41
CYP11B1 P15538 4/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
GAA P10253 1/20 0.39
GRK6 P43250 1/20 0.39
AKR1C3 P42330 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL28559252 0.85 NPC1 (0.45) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL30730791 0.83 ALDH1A1 (0.48) ALDH1A1NPC1CYP11B2CYP11B1IP6K1
SCHEMBL22553727 0.83 ALDH1A1 (0.48) ALDH1A1NPC1CYP11B2CYP11B1IP6K1
SCHEMBL14908919 0.79 NPC1 (0.60) ALDH1A1NPC1CYP11B2CYP11B1CCNC
SCHEMBL28557259 0.79 NPC1 (0.42) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28558353 0.79 PRKAB2 (0.44) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28553407 0.78 NPC1 (0.41) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22553858 0.77 CD38 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30730850 0.77 CD38 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22554035 0.77 BMPR1B (0.53) ALDH1A1NPC1CYP11B2CYP11B1CCNC

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
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
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 ALDH1A1 4524/4885PRKAB2 982/4885PRKAG1 711/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C ALDH1A1 4524/4885PRKAB2 982/4885PRKAG1 711/4885

“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.