SCHEMBL22554086

SCHEMBL22554086

COC(=O)c1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP4K4 O95819 1/20 0.49
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC2A1 P11166 1/20 0.48
CYP19A1 P11511 1/20 0.48
ALPL P05186 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10028688 0.87 CYP11B2 (0.57) CYP11B1CYP11B2MAPK1MAPTKDM4E
SCHEMBL13912441 0.82 CA1 (0.53) MAPTMMP2MMP9MMP8MMP13
SCHEMBL4819326 0.82 HTT (0.60) CYP11B1CYP11B2MKNK1MKNK2MAP4K4
SCHEMBL21392047 0.81 MKNK1 (0.65) CYP11B1CYP11B2MKNK1MKNK2MAP4K4
SCHEMBL30415838 0.81 MKNK1 (0.65) CYP11B1CYP11B2MKNK1MKNK2MAP4K4
SCHEMBL21201422 0.80 CYP2A6 (0.43) CYP11B1CYP11B2MAPK1MAPTKDM4E
SCHEMBL29564949 0.80 ATM (0.65) MAPK1MAPTKDM4EMEN1ALDH1A1
SCHEMBL309752 0.80 ATM (0.65) MAPK1MAPTKDM4EMEN1ALDH1A1
SCHEMBL2386975 0.79 SLC6A3 (0.59) MAPK1MAPTMMP2MMP9MMP8
SCHEMBL22977642 0.79 CYP2A6 (0.42) CYP11B1CYP11B2MAPK1MAPTKDM4E

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 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
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 CYP11B1 3191/4885CYP11B2 3643/4885MKNK1 85/4885
US-11919902-B2 Aryl-bipyridine amine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1A, PIP5K1B, PIP5K1C CYP11B1 3191/4885CYP11B2 3643/4885MKNK1 85/4885

“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.