SCHEMBL6447757

SCHEMBL6447757

CCCc1n[nH]c(C(=O)NCc2ncccn2)c1NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.56
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 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
SCHEMBL6446639 0.94 PDE5A (0.49) PDE5AKMT2AKDM4ERXFP1
SCHEMBL6446603 0.92 PDE5A (0.53) PDE5AKMT2AKDM4ERXFP1GAA
SCHEMBL6447304 0.83 PDE5A (0.56) PDE5AKMT2AKDM4ERXFP1GAA
SCHEMBL6620410 0.82 PDE5A (0.60) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL2403854 0.82 PDE5A (0.68) PDE5AKMT2AKDM4ERXFP1ALDH1A1
Hydrochloric Acid SCHEMBL6446244 0.81 PDE5A (0.67) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL6447758 0.81 PDE5A (0.56) PDE5AKMT2AKDM4ERXFP1ALDH1A1
SCHEMBL6446724 0.81 PDE5A (0.53) PDE5AKMT2AKDM4ERXFP1GAA
SCHEMBL6445731 0.80 PDE5A (0.49) PDE5AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6446040 0.78 PDE5A (0.66) PDE5AKMT2AKDM4ERXFP1ALDH1A1

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 6 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

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 PDE5A 1/4885KMT2A 4533/4885KDM4E 1840/4885

“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.