SCHEMBL3323461

SCHEMBL3323461

Brc1cccc(NC2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.43
PTPN1 P18031 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
GRK2 P25098 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 2/20 0.39
CNR2 P34972 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1556080 0.87 RAPGEF4 (0.46) ALDH1A1RAPGEF4GRK2CASP6CASP8
Hydrochloric Acid SCHEMBL3389236 0.85 RAPGEF4 (0.44) ALDH1A1RAPGEF4KDM1AGRK2CASP6
SCHEMBL7793289 0.84 TDP1 (0.49) ALDH1A1MAPK1PTPN1RAPGEF4GRK2
SCHEMBL14157500 0.84 GRK2 (0.45) ALDH1A1RAPGEF4GRK2CASP6CASP8
SCHEMBL3499884 0.82 TDP1 (0.48) ALDH1A1MAPK1PTPN1RAPGEF4GRK2
Hydrochloric Acid SCHEMBL14744193 0.82 GRK2 (0.44) ALDH1A1RAPGEF4GRK2CASP6CASP8
SCHEMBL7120094 0.79 MAPK1 (0.43) MAPK1PTPN1PRMT5WDR77KDM4E
SCHEMBL7790472 0.79 RAB9A (0.45) ALDH1A1RAPGEF4GRK2CASP6CASP8
SCHEMBL178394 0.79 MAPK1 (0.47) ALDH1A1HTTMAPK1CYP1A2CYP2D6
SCHEMBL18129725 0.78 KDM1A (0.51) ALDH1A1MAPK1MAOBKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2114941-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS Astex Therapeutics Limited (GB) 2009-11-11 EP disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 ALDH1A1 1131/4885HTT 609/4885MAPK1 1167/4885

“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.