SCHEMBL4788709

SCHEMBL4788709

NCc1ccnc2c(Br)cnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
ABL1 P00519 1/20 0.41
AXL P30530 1/20 0.40
CDK2 P24941 4/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TLR9 Q9NR96 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
GSK3B P49841 2/20 0.31
MAP2K1 Q02750 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
PRKAB2 O43741 1/20 0.30

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
SCHEMBL1244741 0.73 AXL (0.43) KDRABL1AXLCDK2CHEK1
SCHEMBL13990648 0.73 AXL (0.43) KDRABL1AXLCDK2CHEK1
SCHEMBL14565531 0.69 GSK3B (0.43) AXLCDK2GSK3B
SCHEMBL5090716 0.66 ALDH1A1 (0.47) KMT2AKDM4E
SCHEMBL5799845 0.65 TLR8 (0.48) KDRABL1AXLCDK2CHEK1
SCHEMBL3162758 0.65 SMN1; SMN2 (0.56) KDM4EHTTGSK3BMAP2K1CLK4
SCHEMBL30363736 0.63 KDR (0.49) KDRABL1AXLCDK2CHEK1
SCHEMBL13309475 0.63 PRKAB2 (0.40) KDRABL1AXLCDK2MEN1
SCHEMBL13305185 0.62 GSK3B (0.67) CDK2GSK3B
SCHEMBL23728455 0.62 HSD11B1 (0.40) KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300263-A1 Pyrazolo [1,5-a] pyrimidine compounds and pharmaceutical compositions containing them EIRX THERAPEUTICS PLC (IE) 2008-12-04 US disclosed
EP-1922321-A1 PYRAZOLOÝ1,5-A¨PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Eirx Therapeutics Ltd (IE) 2008-05-21 EP disclosed
WO-2007017678-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EIRX THERAPEUTICS LIMITED (IE) 2007-02-15 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-20080300263-A1 Pyrazolo [1,5-a] pyrimidine compounds and pharmaceutical compositions containing them DPYD, TYMS, TYMP KDR 2824/4885ABL1 1312/4885AXL 1536/4885

“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.