SCHEMBL22553839

SCHEMBL22553839

Cc1ncc(Br)cc1-c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
F10 P00742 3/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
ALDH1A1 P00352 1/20 0.43
TNIK Q9UKE5 2/20 0.43
PIP4K2A P48426 2/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
IDO1 P14902 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL22553863 0.87 NPC1 (0.48) NPC1F10PRSS1PRSS2PRSS3
SCHEMBL30730861 0.81 PIP4K2A (0.43) F10PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL22554094 0.81 PIP4K2A (0.43) F10PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL30730832 0.78 MAP4K4 (0.44) F10PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL14908919 0.77 NPC1 (0.60) NPC1ALDH1A1IDO1IP6K1IP6K3
SCHEMBL30731176 0.77 NPC1 (0.46) NPC1F10PRSS1PRSS2PRSS3
SCHEMBL22554173 0.77 NPC1 (0.46) NPC1F10PRSS1PRSS2PRSS3
SCHEMBL22575309 0.76 PRKAB2 (0.45) NPC1F10PRSS1PRSS2PRSS3
SCHEMBL22575222 0.76 CNR2 (0.43) NPC1F10PRSS1PRSS2PRSS3
SCHEMBL18955154 0.75 PIP4K2A (0.51) F10PRSS1PRSS2PRSS3ALDH1A1

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 5 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 disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed
CN-112088157-A Aryl-bipyridine amine derivatives as phosphoinositide kinase inhibitors 拉文纳制药公司 2020-12-15 CN 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

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 1648/4885F10 3651/4885PRSS1 2416/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C NPC1 1648/4885F10 3651/4885PRSS1 2416/4885

“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.