SCHEMBL6443440

SCHEMBL6443440

CCCOc1ncc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PDE5A O76074 6/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 2/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
MEN1 O00255 2/20 0.41
PIK3C3 Q8NEB9 1/20 0.41

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
SCHEMBL6443264 0.90 KMT2A (0.67) KMT2ATSHRALDH1A1PDE5A
SCHEMBL6451266 0.89 KMT2A (0.67) KMT2ATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6443105 0.82 KMT2A (0.64) KMT2ATSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL13500479 0.80 KMT2A (0.81) KMT2ATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6444417 0.79 KMT2A (0.83) KMT2AALDH1A1PDE5A
Hydrochloric Acid SCHEMBL6442047 0.79 KMT2A (0.79) KMT2ATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6444862 0.75 KMT2A (0.66) KMT2AALDH1A1PDE5A
SCHEMBL6444293 0.74 KMT2A (0.65) KMT2AALDH1A1PDE5A
SCHEMBL6993844 0.74 POLB (0.61) KMT2ATSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL6442764 0.73 KMT2A (0.66) KMT2AALDH1A1PDE5ACYP2C9MEN1

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 4533/4885TSHR 3132/4885MAPK1 819/4885

“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.