SCHEMBL6288875

SCHEMBL6288875

Cn1nc(OCCO)c(-c2ccc3c(c2)OCO3)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
ADORA1 P30542 2/20 0.42
ADORA2A P29274 1/20 0.42
RIPK2 O43353 1/20 0.41
FYN P06241 4/20 0.41
CHEK2 O96017 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
ALOX5 P09917 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL6289234 0.88 RIPK2 (0.44) KMT2AUSP2MAPTADORA1ADORA2A
SCHEMBL6288946 0.87 GABRP (0.51) KMT2AUSP2MAPTRIPK2GABRP
SCHEMBL6289641 0.84 KMT2A (0.44) KMT2AUSP2MAPTADORA1ADORA2A
SCHEMBL6289177 0.84 ADORA2A (0.54) KMT2AUSP2MAPTADORA1ADORA2A
SCHEMBL6293084 0.84 KMT2A (0.42) KMT2AUSP2MAPTADORA1ADORA2A
SCHEMBL7848497 0.83 GABRP (0.47) KMT2AUSP2MAPTRIPK2GABRP
SCHEMBL6292681 0.79 MAPT (0.49) KMT2AUSP2MAPTADORA1ADORA2A
SCHEMBL7204843 0.76 MAPT (0.41) KMT2AUSP2MAPTFYNSIRT2
SCHEMBL7839851 0.74 LMNA (0.37) KMT2AUSP2MAPTFYNCHEK2
SCHEMBL6289891 0.73 ALDH1A1 (0.50) KMT2AMAPTADORA1FYNSMN1; SMN2

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-6962923-B2 Pyrazole compositions PFIZER INC. (US) 2005-11-08 US disclosed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 EP 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-20030232848-A1 Pyrazole compositions EDNRB, EDNRA, AGTR1 KMT2A 4504/4885USP2 4691/4885MAPT 4430/4885

“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.