SCHEMBL22553907

SCHEMBL22553907

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.41
TBK1 Q9UHD2 2/20 0.40
NPC1 O15118 2/20 0.40
DGAT2 Q96PD7 1/20 0.39
CD38 P28907 1/20 0.37
CDK9 P50750 3/20 0.37
CCNT1 O60563 2/20 0.37
HPGDS O60760 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
PIM1 P11309 1/20 0.35
CYP11B2 P19099 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
ROCK2 O75116 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
SCHEMBL30730786 1.00 NUDT1 (0.41) NUDT1TBK1NPC1DGAT2CD38
SCHEMBL30731117 0.92 NUDT1 (0.43) NUDT1TBK1NPC1DGAT2CD38
SCHEMBL22553938 0.92 NUDT1 (0.43) NUDT1TBK1NPC1DGAT2CD38
SCHEMBL30730826 0.92 NUDT1 (0.43) NUDT1TBK1NPC1DGAT2CD38
SCHEMBL30730775 0.89 PKM (0.41) NUDT1TBK1NPC1DGAT2CD38
SCHEMBL22553840 0.89 PKM (0.41) NUDT1TBK1NPC1DGAT2CD38
SCHEMBL22553975 0.87 TBK1 (0.44) NUDT1TBK1NPC1DGAT2CD38
SCHEMBL30730801 0.87 TBK1 (0.44) NUDT1TBK1NPC1DGAT2CD38
SCHEMBL22554135 0.86 NUDT1 (0.57) NUDT1TBK1NPC1DGAT2CDK9
SCHEMBL30731110 0.86 NUDT1 (0.46) NUDT1TBK1NPC1DGAT2CD38

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 7 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
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN 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 NUDT1 2148/4885TBK1 714/4885NPC1 1648/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C NUDT1 2148/4885TBK1 714/4885NPC1 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.