SCHEMBL22553783

SCHEMBL22553783

O=C1CCCN1c1ccc(-c2cncc(-c3coc4ncc(N5CCCC5=O)cc34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
CYP11B2 P19099 4/20 0.40
CD38 P28907 1/20 0.40
NPC1 O15118 1/20 0.39
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PIP4K2A P48426 2/20 0.36
CYP11B1 P15538 3/20 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

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
SCHEMBL22553862 0.87 IP6K1 (0.38) IP6K1IP6K3IP6K2CYP11B2CD38
SCHEMBL22578319 0.87 IP6K1 (0.38) IP6K1IP6K3IP6K2CYP11B2CD38
SCHEMBL22554249 0.85 CYP11B2 (0.45) IP6K1IP6K3IP6K2CYP11B2CD38
SCHEMBL22554063 0.78 BRD4 (0.45) IP6K1IP6K3IP6K2CYP11B2CD38
SCHEMBL30730789 0.77 SMN1; SMN2 (0.39) IP6K1IP6K3IP6K2CYP11B2CD38
SCHEMBL22553910 0.77 SMN1; SMN2 (0.39) IP6K1IP6K3IP6K2CYP11B2CD38
SCHEMBL22553727 0.76 ALDH1A1 (0.48) IP6K1IP6K3IP6K2CYP11B2CD38
SCHEMBL30730791 0.76 ALDH1A1 (0.48) IP6K1IP6K3IP6K2CYP11B2CD38
SCHEMBL22578335 0.75 IP6K1 (0.43) IP6K1IP6K3IP6K2CYP11B2CD38
SCHEMBL22553858 0.72 CD38 (0.45) IP6K1IP6K3IP6K2CYP11B2CD38

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
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
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 IP6K1 22/4885IP6K3 28/4885IP6K2 17/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C IP6K1 22/4885IP6K3 28/4885IP6K2 17/4885

“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.