SCHEMBL5007643

SCHEMBL5007643

Cc1nc(N)c2cnn(-c3ccc(C#N)cc3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.64
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 1/20 0.41
EIF2AK4 Q9P2K8 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
PI4KA P42356 1/20 0.40
KMT2A Q03164 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MAPK14 Q16539 1/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A3 P11169 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL4695996 0.85 IRAK4 (0.48) XDHKDM4EHSD17B10HPGDKMT2A
SCHEMBL5007641 0.82 TSHR (0.52) XDHKDM4EHSD17B10HPGDMEN1
SCHEMBL5011669 0.81 KDM4E (0.59) KDM4EHSD17B10HPGDMEN1ALDH1A1
SCHEMBL5007676 0.80 XDH (0.48) XDHKDM4EHSD17B10HPGDMEN1
SCHEMBL10313811 0.80 MAPT (0.51) XDHKDM4EHSD17B10HPGDEIF2AK4
SCHEMBL13790289 0.78 XDH (1.00) XDHKDM4EHSD17B10MEN1ALDH1A1
SCHEMBL5007638 0.76 XDH (0.47) XDHKDM4EHSD17B10HPGDMEN1
SCHEMBL10276387 0.75 XDH (0.53) XDHMAPK14PGR
SCHEMBL10275714 0.74 XDH (0.52) XDHKDM4EMEN1CYP1A2TSHR
SCHEMBL5009708 0.74 GRM1 (0.51) XDHKDM4EHSD17B10HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents GLAXO GROUP LIMITED 2008-11-27 US disclosed
US-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents GLAXO GROUP LIMITED 2008-11-27 US disclosed
US-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents GLAXO GROUP LIMITED 2008-11-27 US disclosed
WO-2007054294-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2007-05-18 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-20080292561-A1 Pyrazolo-Pyrimidine Derivatives as Anti-Inflammatory Agents NOD1, FPR3, FPR1 XDH 333/4885KDM4E 1193/4885HSD17B10 3125/4885

“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.