SCHEMBL6447283

SCHEMBL6447283

CCOC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1O[C@@H]1CCOC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
PDE5A O76074 6/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.40
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CREBBP Q92793 1/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
PDE4B Q07343 1/20 0.37

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
SCHEMBL6443408 1.00 KMT2A (0.56) KMT2APDE5AALDH1A1MEN1CYP2D6
SCHEMBL6442109 0.95 KMT2A (0.58) KMT2APDE5AALDH1A1MEN1CYP2D6
SCHEMBL6444270 0.86 KMT2A (0.59) KMT2APDE5AALDH1A1MEN1CYP2D6
SCHEMBL6444485 0.84 KMT2A (0.68) KMT2APDE5AALDH1A1CYP2D6SMN1; SMN2
SCHEMBL6441804 0.83 ALDH1A1 (0.56) KMT2APDE5AALDH1A1CYP2D6TSHR
SCHEMBL6444685 0.83 ALDH1A1 (0.56) KMT2APDE5AALDH1A1CYP2D6TSHR
SCHEMBL3576451 0.83 KMT2A (0.80) KMT2APDE5AALDH1A1CYP2D6SMN1; SMN2
SCHEMBL6444483 0.83 KMT2A (0.56) KMT2APDE5AALDH1A1CYP2D6KDM4E
SCHEMBL7004598 0.80 KMT2A (0.88) KMT2APDE5AALDH1A1CYP2D6SMN1; SMN2
SCHEMBL6444862 0.79 KMT2A (0.66) KMT2APDE5AALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP 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
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 KMT2A 4533/4885PDE5A 1/4885ALDH1A1 254/4885

“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.