SCHEMBL22553859

SCHEMBL22553859

O=C1CCCN1c1ccc(-c2cncc(-c3csc4ncccc34)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.45
CD38 P28907 1/20 0.42
CYP11B2 P19099 6/20 0.40
CYP11B1 P15538 5/20 0.40
ALOX5AP P20292 1/20 0.39
GAA P10253 1/20 0.39
PIM1 P11309 2/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
HPGDS O60760 1/20 0.39
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36
BRDT Q58F21 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
SCHEMBL30730773 0.80 ALOX5AP (0.41) PIP4K2ACD38CYP11B2CYP11B1ALOX5AP
SCHEMBL22553917 0.80 ALOX5AP (0.41) PIP4K2ACD38CYP11B2CYP11B1ALOX5AP
SCHEMBL22553948 0.80 CAMKK2 (0.45) CD38GAAPIM1HPGDS
SCHEMBL22553754 0.80 BRD4 (0.49) PIP4K2ACD38CYP11B2CYP11B1ALOX5AP
SCHEMBL30730791 0.79 ALDH1A1 (0.48) CD38CYP11B2CYP11B1GAANPC1
SCHEMBL22553727 0.79 ALDH1A1 (0.48) CD38CYP11B2CYP11B1GAANPC1
SCHEMBL22553864 0.75 ALOX5AP (0.39) PIP4K2ACD38CYP11B2CYP11B1ALOX5AP
SCHEMBL30777579 0.73 CYP11B1 (0.60) CYP11B2CYP11B1GAAPIM1ALDH1A1
SCHEMBL22553899 0.73 NUDT1 (0.46) CD38NPC1
SCHEMBL22553955 0.73 PIM1 (0.42) PIP4K2ACD38CYP11B2GAAPIM1

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 PIP4K2A 4/4885CD38 1967/4885CYP11B2 3643/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C PIP4K2A 4/4885CD38 1967/4885CYP11B2 3643/4885

“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.