SCHEMBL3322545

SCHEMBL3322545

Nc1cccc(-c2cnc3cc(-c4cccc(CN5CCOCC5)c4)ccn23)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.52
KDR P35968 6/20 0.50
LRRK2 Q5S007 2/20 0.45
NCF1 P14598 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
USP7 Q93009 1/20 0.44
JAK1 P23458 1/20 0.43
PSMB8 P28062 1/20 0.43
PIK3CD O00329 3/20 0.42
FLT3 P36888 1/20 0.41

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 0.86 KDR (0.52) CHEK1KDRLRRK2USP7JAK1
SCHEMBL17157019 0.85 KDR (0.50) CHEK1KDRLRRK2CNR1CNR2
SCHEMBL3585427 0.84 KDR (0.49) CHEK1KDRJAK1FLT3
SCHEMBL3021367 0.84 CHEK1 (0.51) CHEK1KDRCNR1CNR2JAK1
SCHEMBL3323671 0.83 KDR (0.54) CHEK1KDR
SCHEMBL3327792 0.82 CNR1 (0.47) CHEK1KDRLRRK2NCF1CNR1
SCHEMBL13336412 0.82 KDR (0.47) CHEK1KDR
SCHEMBL3323936 0.81 KDR (0.53) KDR
SCHEMBL3325236 0.80 CHEK1 (0.49) CHEK1KDRLRRK2CNR1CNR2
SCHEMBL13363814 0.79 KDR (0.50) CHEK1KDRUSP7JAK1PSMB8

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 26 patents — showing the first 20. 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-2121687-B1 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-10-14 EP disclosed
EP-2121687-B1 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-10-14 EP 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
CN-101679409-B Bicyclic heterocyclic derivative compounds, pharmaceutical compositions thereof and uses thereof ASTEX THERAPEUTICS LTD 2014-11-26 CN 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-8513276-B2 Imidazo[1,2-a]pyridine compounds for use in treating cancer ASTEX THERAPEUTICS LIMITED (GB) 2013-08-20 US disclosed
US-20100093718-A1 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093718-A1 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
CN-101679408-A Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LTD 2010-03-24 CN disclosed
CN-101679409-A Novel compounds ASTEX THERAPEUTICS LTD 2010-03-24 CN disclosed
EP-2121687-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2009-11-25 EP 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
WO-2008078100-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO disclosed
WO-2008078100-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE 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-20100093718-A1 Compounds FGFR1, FGFR2, PDGFRB CHEK1 939/4885KDR 7/4885LRRK2 847/4885

“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.