SCHEMBL2773456

SCHEMBL2773456

Cc1cn(C)nc1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGBL2 Q5U5Z8 2/20 0.42
▸ GABRR1 P24046 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33

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
SCHEMBL22084126 0.85 GAA (0.37) SMN1; SMN2KDM4EPOLBGAAMAPT
SCHEMBL15528666 0.79 PTGDR2 (0.40) AGBL2GABRR1SMN1; SMN2KDM4EPOLB
SCHEMBL8269743 0.75 — —
SCHEMBL4351357 0.73 RAB9A (0.44) SMN1; SMN2KDM4EL3MBTL1GAAMAPT
SCHEMBL27766068 0.73 CAPN1 (0.35) SMN1; SMN2GAAATMLMNANAMPT
SCHEMBL10098722 0.71 — —
SCHEMBL2265005 0.71 — —
SCHEMBL16120379 0.71 — —
SCHEMBL5106211 0.71 AKR1B1 (0.41) SMN1; SMN2KDM4EPOLBL3MBTL1MAPT
Hydrochloric Acid SCHEMBL25435300 0.69 LMNA (0.33) GAAALDH1A1CYP1A2CYP2C19LMNA

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-20100056595-A1 Pyrazole Derivatives as P2X7 Modulators GLAXO GROUP LIMITED (GB) 2010-03-04 — — US disclosed
EP-2150535-A2 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-02-10 — — EP disclosed
WO-2008125600-A2 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-10-23 — — 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-20100056595-A1 Pyrazole Derivatives as P2X7 Modulators P2RX3, P2RX6, P2RX7 AGBL2 4271/4885GABRR1 664/4885SMN1; SMN2 3130/4885

“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.

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