SCHEMBL22554033

SCHEMBL22554033

O=C(NCCc1ccncc1)c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.41
NUDT1 P36639 2/20 0.41
DGAT2 Q96PD7 1/20 0.40
CCNK O75909 5/20 0.39
CDK12 Q9NYV4 5/20 0.39
TBK1 Q9UHD2 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
HASPIN Q8TF76 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL30777577 1.00 NPC1 (0.43) NPC1RAB9ALMNAPOLBNUDT1
SCHEMBL30730825 0.95 NPC1 (0.51) NPC1RAB9ALMNAPOLBNUDT1
SCHEMBL22554184 0.95 NPC1 (0.51) NPC1RAB9ALMNAPOLBNUDT1
SCHEMBL22554025 0.92 NUDT1 (0.45) NPC1RAB9ALMNAPOLBNUDT1
SCHEMBL30777539 0.92 NUDT1 (0.45) NPC1RAB9ALMNAPOLBNUDT1
SCHEMBL22554047 0.92 DGAT2 (0.44) NPC1LMNAPOLBNUDT1DGAT2
SCHEMBL30730846 0.92 DGAT2 (0.44) NPC1LMNAPOLBNUDT1DGAT2
SCHEMBL22553798 0.90 NUDT1 (0.40) NPC1RAB9ALMNAPOLBNUDT1
SCHEMBL30777543 0.90 NUDT1 (0.40) NPC1RAB9ALMNAPOLBNUDT1
SCHEMBL22554156 0.89 NUDT1 (0.41) NPC1RAB9ALMNANUDT1DGAT2

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 NPC1 1648/4885RAB9A 1186/4885LMNA 3441/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C NPC1 1648/4885RAB9A 1186/4885LMNA 3441/4885

“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.