SCHEMBL6441740

SCHEMBL6441740

CCCc1c(N)c(C(N)=O)nn1Cc1cccnn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRIN1 Q05586 11/20 0.33
GRIN2B Q13224 11/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
P2RX7 Q99572 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
POLB P06746 1/20 0.30
USP2 O75604 1/20 0.30
PDE5A O76074 1/20 0.30
PDE6C P51160 1/20 0.30

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
SCHEMBL6806341 0.91 CTDSP1 (0.38) CTDSP1CYP1A2GRIN1GRIN2BP2RX7
SCHEMBL6200427 0.85 USP2 (0.42) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL6444533 0.84 SMN1; SMN2 (0.39) CTDSP1CYP1A2GRIN1GRIN2B
SCHEMBL6443240 0.79 ALDH1A1 (0.32) ALDH1A1USP2
Potassium Ion SCHEMBL7393155 0.77 ALDH1A1 (0.31) MEN1KMT2AALDH1A1MAPK1
SCHEMBL6448402 0.76 CTDSP1 (0.37) CTDSP1CYP1A2GRIN1GRIN2BMEN1
SCHEMBL5827229 0.75 ADRA1D (0.40) MEN1KMT2AALDH1A1MAPK1POLB
SCHEMBL6805497 0.74 CTDSP1 (0.38) CTDSP1CYP1A2GRIN1GRIN2BP2RX7
SCHEMBL6446771 0.73 PDE5A (0.36) MEN1KMT2APDE5A
SCHEMBL6446531 0.69 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1MAPK1POLB

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 7 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
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 CTDSP1 2619/4885CYP1A2 122/4885GRIN1 3052/4885

“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.