SCHEMBL16425232

SCHEMBL16425232

COC(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.47
HPGD P15428 1/20 0.46
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
TLR8 Q9NR97 1/20 0.44
NEK2 P51955 1/20 0.44
PRKDC P78527 3/20 0.44
ATM Q13315 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL16425231 0.82 ATR (0.56) ATRLDHALDHBNEK2PRKDC
SCHEMBL20371188 0.80 NEK2 (0.56) ATRHPGDNEK2MAPT
SCHEMBL20987102 0.79 NEK2 (0.48) ATRIKBKETBK1NEK2ALDH1A1
SCHEMBL934180 0.78 ATR (0.51) ATRHPGDNEK2PRKDCALDH1A1
SCHEMBL481659 0.77 ALOX5AP (0.49) HPGDIKBKETBK1TLR8ALDH1A1
SCHEMBL28457228 0.76 KCNH2 (0.62) ATRNEK2PDGFRBKDR
SCHEMBL29124905 0.76 IKBKE (0.58) IKBKETBK1ALDH1A1KDM4ECA12
SCHEMBL23064174 0.76 PIK3CG (0.54) ATRHPGDPRKDCATMALDH1A1
SCHEMBL12198422 0.76 ATR (0.48) ATRHPGDALDH1A1KDM4EMAPT
SCHEMBL1954137 0.75 MAPK1 (0.53) HPGDIKBKETBK1TLR8ALDH1A1

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
US-20180194741-A1 NEW ANTI-MALARIAL AGENTS UNIVERSITY OF CAPE TOWN (ZA) 2018-07-12 US disclosed
US-9266842-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-02-23 US disclosed
US-20150031682-A1 ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-01-29 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-20150031682-A1 ANTI-MALARIAL AGENTS QDPR, DHFR, IL5 ATR 4093/4885HPGD 708/4885IKBKE 2437/4885
US-20180194741-A1 NEW ANTI-MALARIAL AGENTS QDPR, API5, DHFR ATR 4067/4885HPGD 713/4885IKBKE 1931/4885

“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.