SCHEMBL6209396

SCHEMBL6209396

CC(C)(C)c1cc(Br)cc(-n2cccn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
G6PD P11413 1/20 0.36
MAPK1 P28482 1/20 0.36
ADORA2A P29274 5/20 0.33
BRS3 P32247 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
PTPN1 P18031 1/20 0.33
PDK2 Q15119 1/20 0.33
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32

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
SCHEMBL17640894 0.82 NOTUM (0.48) NOTUMKDM4EALDH1A1MAPTKMT2A
SCHEMBL26028856 0.82 MAPT (0.42) NOTUMKDM4EALDH1A1MAPTKMT2A
SCHEMBL21849157 0.81 KAT6A (0.41) NOTUMKDM4EALDH1A1MAPTKMT2A
SCHEMBL6209994 0.78 MAPT (0.43) NOTUMKDM4EALDH1A1MAPTKMT2A
SCHEMBL4406625 0.77 NOTUM (0.44) NOTUMKDM4EALDH1A1MAPTKMT2A
SCHEMBL21849206 0.75 KDM4E (0.44) NOTUMKDM4EALDH1A1MAPTKMT2A
SCHEMBL221069 0.75 ADORA2A (0.42) NOTUMKDM4EALDH1A1MAPTKMT2A
SCHEMBL29889849 0.74 KAT6A (0.46) NOTUMKDM4EALDH1A1MAPTMAPK1
SCHEMBL117343 0.74 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPTKMT2A
SCHEMBL29080878 0.71 NOTUM (0.48) NOTUMKDM4EALDH1A1MAPTKMT2A

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-9879039-B2 Tetradentate and octahedral metal complexes containing naphthyridinocarbazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-01-30 US disclosed
US-9879039-B2 Tetradentate and octahedral metal complexes containing naphthyridinocarbazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-01-30 US disclosed
US-20160359125-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2016-12-08 US disclosed
US-20160359125-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2016-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 WO 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-20160359125-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES PAICS, DNTT, PNPO NOTUM 3238/4885KDM4E 2613/4885ALDH1A1 4508/4885

“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.