SCHEMBL30730776

SCHEMBL30730776

O=C(c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2[nH]1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
CYP11B2 P19099 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
HASPIN Q8TF76 1/20 0.41
NTRK1 P04629 2/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
NUDT1 P36639 1/20 0.39
ROCK2 O75116 1/20 0.38
NPC1 O15118 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
RIPK1 Q13546 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
SCHEMBL22554205 1.00 TBK1 (0.49) TBK1ALDH1A1HPGDCYP11B2CCNC
SCHEMBL22553745 0.93 TBK1 (0.45) TBK1ALDH1A1HPGDCYP11B2CDK9
SCHEMBL22553975 0.87 TBK1 (0.44) TBK1ALDH1A1HPGDCYP11B2NUDT1
SCHEMBL30730801 0.87 TBK1 (0.44) TBK1ALDH1A1HPGDCYP11B2NUDT1
SCHEMBL30731110 0.86 NUDT1 (0.46) TBK1ALDH1A1CYP11B2NUDT1NPC1
SCHEMBL22554106 0.86 TBK1 (0.39) TBK1ALDH1A1HPGDCYP11B2CCNC
SCHEMBL30731170 0.86 TBK1 (0.39) TBK1ALDH1A1HPGDCYP11B2CCNC
SCHEMBL22553938 0.85 NUDT1 (0.43) TBK1ALDH1A1HPGDCYP11B2NUDT1
SCHEMBL22554135 0.85 NUDT1 (0.57) TBK1ALDH1A1CYP11B2CCNT1CDK9
SCHEMBL30731117 0.85 NUDT1 (0.43) TBK1ALDH1A1HPGDCYP11B2NUDT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C TBK1 714/4885ALDH1A1 4524/4885HPGD 3902/4885

“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.