SCHEMBL22553910

SCHEMBL22553910

O=C1CCCN1c1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
CYP11B2 P19099 4/20 0.38
CD38 P28907 1/20 0.38
EED O75530 1/20 0.37
SUZ12 Q15022 1/20 0.37
EZH2 Q15910 1/20 0.37
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
IP6K2 Q9UHH9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
HPGD P15428 3/20 0.36
CYP11B1 P15538 3/20 0.36
CYP1A2 P05177 1/20 0.36
HPGDS O60760 1/20 0.36
NPSR1 Q6W5P4 1/20 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
SCHEMBL30730789 1.00 SMN1; SMN2 (0.39) SMN1; SMN2LMNANPC1CYP11B2CD38
SCHEMBL22553727 0.78 ALDH1A1 (0.48) NPC1CYP11B2CD38IP6K1IP6K3
SCHEMBL30730791 0.78 ALDH1A1 (0.48) NPC1CYP11B2CD38IP6K1IP6K3
SCHEMBL22553783 0.77 IP6K1 (0.41) NPC1CYP11B2CD38EEDSUZ12
SCHEMBL22553955 0.76 PIM1 (0.42) NPC1CYP11B2CD38GAATBK1
SCHEMBL22553771 0.76 PIP4K2A (0.40) NPC1CYP11B2CD38EEDSUZ12
SCHEMBL22553742 0.76 CYP11B2 (0.40) NPC1CYP11B2CD38IP6K1IP6K3
SCHEMBL22553788 0.76 CD38 (0.39) NPC1CYP11B2CD38IP6K1IP6K3
SCHEMBL22553843 0.76 CD38 (0.39) SMN1; SMN2NPC1CYP11B2CD38IP6K1
SCHEMBL22553899 0.76 NUDT1 (0.46) NPC1CD38TBK1

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 SMN1; SMN2 3679/4885LMNA 3441/4885NPC1 1648/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C SMN1; SMN2 3679/4885LMNA 3441/4885NPC1 1648/4885

“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.