SCHEMBL20328552

SCHEMBL20328552

COC(=O)c1cc2cnc(C)nc2c(Br)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 4/20 0.33
OPRK1 P41145 3/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
ABL1 P00519 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL18309315 0.83 FOS (0.38) MAPTKDM4EALDH1A1
SCHEMBL20328545 0.78 AXL (0.43) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL17596193 0.76 KDM4E (0.48) MAPTL3MBTL1KMT2AHTTKDM4E
SCHEMBL31082862 0.71 KDM4E (0.40) ATMMAPTL3MBTL1KMT2ATSHR
SCHEMBL18299199 0.70 MAPT (0.39) ATMMAPTL3MBTL1KMT2AOPRK1
SCHEMBL8590367 0.70 RAB9A (0.47) ATMMAPTL3MBTL1KMT2ATSHR
SCHEMBL18309296 0.69 CSNK2A1 (0.44) MAPTL3MBTL1ABL1KDM4EALDH1A1
SCHEMBL30016982 0.69 KDM4E (0.50) ATMKDM4EALDH1A1HPGD
SCHEMBL15472009 0.69 ALDH1A1 (0.39) ATMMAPTKMT2ATSHRGAA
SCHEMBL22120120 0.68 ATM (0.41) ATMKMT2ATSHRGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177190-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-28 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 (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-20180177190-A1 HERBICIDAL COMPOUNDS DDT, CYP1B1, ATP1B1 ATM 4400/4885MAPT 3494/4885L3MBTL1 647/4885

“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.