SCHEMBL6444767

SCHEMBL6444767

CCCc1c(NC(=O)c2cc(N)cnc2OCC)c(C(N)=O)nn1Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.40
PDE6C P51160 1/20 0.40
NR3C1 P04150 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ADRA1D P25100 1/20 0.32
GAA P10253 1/20 0.32
ERBB2 P04626 1/20 0.32
CSF1R P07333 1/20 0.32

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
SCHEMBL6447286 0.88 MEN1 (0.39) PDE5APDE6CNR3C1L3MBTL1ALDH1A1
SCHEMBL7241286 0.87 PDE5A (0.44) PDE5APDE6CALDH1A1MAPK1NPC1
SCHEMBL6446798 0.86 PDE5A (0.39) PDE5APDE6CNR3C1ALDH1A1MEN1
SCHEMBL6444896 0.84 PDE5A (0.62) PDE5APDE6CALDH1A1KMT2A
SCHEMBL6777123 0.82 PDE5A (0.47) PDE5ANR3C1L3MBTL1ALDH1A1NPC1
SCHEMBL6356420 0.80 PDE5A (0.38) PDE5APDE6CNR3C1L3MBTL1ALDH1A1
SCHEMBL6444195 0.79 PDE5A (0.56) PDE5APDE6CALDH1A1KMT2A
SCHEMBL6443433 0.78 PDE5A (0.56) PDE5APDE6CALDH1A1KMT2A
SCHEMBL6199773 0.78 HDAC1 (0.43) PDE5APDE6CMAPK1GAA
SCHEMBL7240689 0.78 RXFP1 (0.47) L3MBTL1ALDH1A1MEN1MAPK1KMT2A

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 PDE5A 1/4885PDE6C 21/4885NR3C1 670/4885

“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.