SCHEMBL1824099

SCHEMBL1824099

Fc1cc(Br)ccc1OCCBr

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.46
NSD3 Q9BZ95 1/20 0.46
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
KDM1A O60341 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 1/20 0.39
SLC6A4 P31645 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL7769950 0.85 NSD2 (0.46) NSD2NSD3POLBKDM4EPKM
SCHEMBL3189588 0.83 KDM4E (0.45) NSD2NSD3POLBKDM4EPKM
SCHEMBL848521 0.83 NSD2 (0.45) NSD2NSD3POLBKDM4EPKM
SCHEMBL1821512 0.83 NSD2 (0.45) NSD2NSD3POLBKDM4EPKM
SCHEMBL27738395 0.83 NSD2 (0.45) NSD2NSD3POLBKDM4EPKM
SCHEMBL5881114 0.83 HPGD (0.55) NSD2NSD3POLBKDM4EAAK1
SCHEMBL2428361 0.82 ALDH1A1 (0.41) POLBPKMKDM1AL3MBTL1HPGD
SCHEMBL1823347 0.81 NSD2 (0.44) NSD2NSD3KDM4EKDM1AAAK1
SCHEMBL15300823 0.81 KDM4E (0.44) NSD2NSD3POLBKDM4EPKM
SCHEMBL29929937 0.81 NSD2 (0.44) NSD2NSD3KDM4EKDM1AAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981876-B1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2011-05-04 EP disclosed
US-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1981876-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2008-10-22 EP disclosed
WO-2007080401-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2007-07-19 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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS SLC28A1, TPMT, ACE NSD2 1782/4885NSD3 1877/4885POLB 1158/4885

“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.