SCHEMBL3323675

SCHEMBL3323675

NC(=O)c1cc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.49
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHEK1 O14757 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
FGFR3 P22607 5/20 0.39
JAK1 P23458 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
KCNJ1 P48048 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3326947 0.88 KDR (0.52) KDRPARP1CHEK1FGFR3JAK1
SCHEMBL13363814 0.85 KDR (0.50) KDRPARP1CHEK1FGFR3JAK1
SCHEMBL3323124 0.83 KDR (0.48) KDRMAPTFGFR3JAK1SMN1; SMN2
SCHEMBL3322545 0.77 CHEK1 (0.52) KDRCHEK1JAK1
SCHEMBL3323936 0.75 KDR (0.53) KDRFGFR3
SCHEMBL3323671 0.73 KDR (0.54) KDRALDH1A1MEN1KMT2ACHEK1
SCHEMBL3021367 0.73 CHEK1 (0.51) KDRALDH1A1CHEK1JAK1
SCHEMBL3585427 0.73 KDR (0.49) KDRCHEK1FGFR3JAK1
SCHEMBL13336644 0.73 FGFR3 (0.66) KDRFGFR3
SCHEMBL3323046 0.72 KDR (0.48) KDRCHEK1LMNAFGFR3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679408-B Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LTD. (GB) 2016-04-27 CN disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
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
CN-101679408-A Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LTD 2010-03-24 CN 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 KDR 32/4885PARP1 1392/4885ALDH1A1 1131/4885

“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.