SCHEMBL4789418

SCHEMBL4789418

CCOC(=O)c1cccc(-n2ncc3c(N)nc(C)nc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.43
ESRRA P11474 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5007660 0.89 MEN1 (0.48) HTTMAPTRXFP1KDM4ENPC1
SCHEMBL14022280 0.89 TDP1 (0.44) HTTMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL4789419 0.83 HTT (0.49) HTTNPBWR1MCHR1MAPTLMNA
SCHEMBL304020 0.81 HTT (0.54) HTTNPBWR1MCHR1MAPTLMNA
SCHEMBL23187557 0.81 NPBWR1 (0.53) HTTNPBWR1MCHR1MAPTLMNA
SCHEMBL14037083 0.78 NPC1 (0.67) HTTMAPTLMNARXFP1ALDH1A1
SCHEMBL8043565 0.76 HTT (0.68) HTTNPBWR1MCHR1MAPTLMNA
SCHEMBL5011669 0.75 KDM4E (0.59) HTTMAPTLMNAALDH1A1HPGD
SCHEMBL14454774 0.75 NPBWR1 (0.53) HTTNPBWR1MCHR1LMNAALOX15
SCHEMBL14022281 0.74 NR3C1 (0.52) NPC1RAB9A

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 5 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
EP-1945642-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007054294-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2007-05-18 WO 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 HTT 4625/4885NPBWR1 2657/4885MCHR1 4221/4885

“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.