SCHEMBL3298944

SCHEMBL3298944

Fc1cccc(CNc2nc(F)nc3[nH]cnc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.56
AURKB Q96GD4 2/20 0.56
DAPK3 O43293 1/20 0.56
JAK2 O60674 1/20 0.56
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
PAK4 O96013 1/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
CSF1R P07333 1/20 0.56
RET P07949 1/20 0.56
PDGFRB P09619 1/20 0.56
FGFR1 P11362 1/20 0.56
PRKACA P17612 1/20 0.56
FLT1 P17948 1/20 0.56
LTK P29376 1/20 0.56
GRK5 P34947 1/20 0.56
KDR P35968 1/20 0.56
MAP2K2 P36507 1/20 0.56
MAPK8 P45983 1/20 0.56

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
SCHEMBL3302062 0.88 TMIGD3 (0.56) AURKAAURKBDAPK3JAK2PRKD3
SCHEMBL28455818 0.88 CLK4 (0.54) AURKAAURKBDAPK3JAK2PRKD3
SCHEMBL16146763 0.88 APP (0.58) AURKAAURKBDAPK3JAK2PRKD3
SCHEMBL16146671 0.88 AURKA (0.54) AURKAAURKBDAPK3JAK2PRKD3
SCHEMBL16146226 0.88 AURKA (0.54) AURKAAURKBDAPK3JAK2PRKD3
SCHEMBL5997041 0.87 CDK1 (0.48) JAK2CDK2APPKDM5BEGFR
SCHEMBL17443005 0.84 MAP2K4 (0.43) AURKARPS6KB1APP
SCHEMBL621253 0.83 CLK4 (0.67) AURKAAURKBDAPK3JAK2PRKD3
SCHEMBL3302002 0.81 MEN1 (0.47) CLK4KDM4C
SCHEMBL3304345 0.80 KCNH3 (0.39) JAK2KDRCDK2CDK9EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592581-B2 Trisubstituted purine derivatives CYCLACEL LIMITED (GB) 2013-11-26 US disclosed
EP-2139893-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES CYCLACEL LTD (GB) 2013-06-19 EP disclosed
EP-2139893-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES CYCLACEL LTD (GB) 2013-06-19 EP disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
EP-2139893-A2 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES Cyclacel Limited (GB) 2010-01-06 EP disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 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-20100093769-A1 COMPOUNDS CCR9, NPY1R, BCL9 AURKA 1622/4885AURKB 1728/4885DAPK3 2810/4885

“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.