SCHEMBL6472886

SCHEMBL6472886

CCOC(=O)c1cccnc1OCCOC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 2/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 2/20 0.53

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
SCHEMBL6043936 0.93 L3MBTL1 (0.58) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL7239484 0.88 L3MBTL1 (0.62) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL1313733 0.88 L3MBTL1 (0.74) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL29173176 0.87 L3MBTL1 (0.60) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL311599 0.86 L3MBTL1 (0.59) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL6583837 0.82 L3MBTL1 (0.55) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL1505205 0.81 KDM4E (0.50) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
Diethyl Phthalate SCHEMBL5492207 0.81 TSHR (0.81) L3MBTL1ALDH1A1HTTMAPK1LMNA
SCHEMBL27424667 0.80 L3MBTL1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL27976581 0.79 L3MBTL1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229349-C Pyridine-3-carboxylic acid derivative PFIZER (US) 2005-11-30 CN disclosed
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
CN-1495169-A Pyridine-3-carboxylic acid derivative 2004-05-12 CN disclosed
US-6670366-B1 Cyclic guanosine 3',5'-monophosphate phosphodiesterase inhibitors; impotence; pyrazolo(4,3-d)pyrimidin-7-ones PFIZER INC 2003-12-30 US disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
US-6458951-B2 FOR TREATMENT OF MALE ERECTILE DYSFUNCTION, FEMALE SEXUAL DYSFUNCTION PFIZER INC 2002-10-01 US disclosed
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
EP-0995750-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B L3MBTL1 3888/4885ALDH1A1 254/4885SMN1; SMN2 1854/4885

“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.