SCHEMBL3327792

SCHEMBL3327792

Ic1cnc2cc(-c3cccc(CN4CCOCC4)c3)ccn12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
PSMB8 P28062 1/20 0.47
CHEK1 O14757 1/20 0.46
NCF1 P14598 1/20 0.46
PIK3CD O00329 1/20 0.45
LRRK2 Q5S007 2/20 0.44
USP7 Q93009 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KDR P35968 3/20 0.42
JAK1 P23458 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
CXCR4 P61073 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
SCHEMBL3322545 0.82 CHEK1 (0.52) CNR1CNR2PSMB8CHEK1NCF1
SCHEMBL3021367 0.79 CHEK1 (0.51) CNR1CNR2CHEK1PIK3CDKDM4E
SCHEMBL3585427 0.79 KDR (0.49) CHEK1KDRJAK1
SCHEMBL3323671 0.77 KDR (0.54) CHEK1ALDH1A1KDR
SCHEMBL3323936 0.76 KDR (0.53) KDR
SCHEMBL17157019 0.76 KDR (0.50) CNR1CNR2PSMB8CHEK1LRRK2
SCHEMBL3326947 0.75 KDR (0.52) PSMB8CHEK1LRRK2USP7KDR
SCHEMBL13336412 0.75 KDR (0.47) CHEK1ALDH1A1KDR
SCHEMBL3325236 0.75 CHEK1 (0.49) CNR1CNR2PSMB8CHEK1PIK3CD
SCHEMBL1690875 0.74 ALDH1A1 (0.66) CNR1CNR2PSMB8NCF1KDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8513276-B2 Imidazo[1,2-a]pyridine compounds for use in treating cancer ASTEX THERAPEUTICS LIMITED (GB) 2013-08-20 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 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
US-20100093718-A1 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US 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-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
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 (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-20100093718-A1 Compounds FGFR1, FGFR2, PDGFRB CNR1 363/4885CNR2 340/4885PSMB8 4840/4885
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 CNR1 1163/4885CNR2 819/4885PSMB8 4589/4885

“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.