SCHEMBL22553862

SCHEMBL22553862

CC(O)c1cnc2occ(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
NPC1 O15118 1/20 0.37
CYP11B2 P19099 3/20 0.36
CD38 P28907 1/20 0.36
CYP11B1 P15538 1/20 0.36
SYK P43405 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
PHGDH O43175 1/20 0.35
CCR6 P51684 1/20 0.35
PIP4K2A P48426 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TNIK Q9UKE5 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34

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
SCHEMBL22553783 0.87 IP6K1 (0.41) IP6K1IP6K3IP6K2NPC1CYP11B2
SCHEMBL22554249 0.82 CYP11B2 (0.45) IP6K1IP6K3IP6K2NPC1CYP11B2
SCHEMBL22553736 0.82 BRD4 (0.41) IP6K1IP6K3IP6K2NPC1CYP11B2
SCHEMBL22553735 0.82 BRD4 (0.41) IP6K1IP6K3IP6K2NPC1CYP11B2
SCHEMBL22578319 0.82 IP6K1 (0.38) IP6K1IP6K3IP6K2NPC1CYP11B2
SCHEMBL22553804 0.82 BRD4 (0.41) IP6K1IP6K3IP6K2NPC1CYP11B2
SCHEMBL22553722 0.82 MAP4K1 (0.40) NPC1CD38CAMKK2PRKAB2PRKAG1
SCHEMBL22553796 0.78 NPC1 (0.36) IP6K1IP6K3IP6K2NPC1CYP11B2
SCHEMBL22553967 0.75 CCNA2 (0.41) NPC1CYP11B2CD38CYP11B1SYK
SCHEMBL30777555 0.75 CCNA2 (0.41) NPC1CYP11B2CD38CYP11B1SYK

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 6 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
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.