SCHEMBL6447255

SCHEMBL6447255

CC(C)(C)c1nn(Cc2ccccn2)c(C(N)=O)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.42
SLC16A1 P53985 3/20 0.42
ADRA1D P25100 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CYP1A2 P05177 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HRH1 P35367 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
RIPK2 O43353 1/20 0.35

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
SCHEMBL6446623 0.83 NPSR1 (0.41) SLC16A3SLC16A1ADRA1DL3MBTL1SIRT1
SCHEMBL6995580 0.82 ADRA1D (0.42) ADRA1DL3MBTL1SIRT1PARP10CYP1A2
SCHEMBL6446279 0.81 USP2 (0.44) SLC16A3SLC16A1ADRA1DL3MBTL1SIRT1
SCHEMBL6447516 0.80 USP2 (0.50) SLC16A3ADRA1DL3MBTL1SIRT1PARP10
SCHEMBL5827229 0.72 ADRA1D (0.40) SLC16A3SLC16A1ADRA1DL3MBTL1SIRT1
SCHEMBL7004142 0.72 ALDH1A1 (0.46) SLC16A3SLC16A1CYP1A2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL7991717 0.70 ADRA1D (0.48) ADRA1DL3MBTL1SIRT1PARP10ALDH1A1
SCHEMBL6200427 0.70 USP2 (0.42) SLC16A3SLC16A1ADRA1DL3MBTL1SIRT1
SCHEMBL7004394 0.70 KDM4E (0.41) ADRA1DL3MBTL1SIRT1PARP10CYP1A2
SCHEMBL6202269 0.70 SMN1; SMN2 (0.44) ADRA1DL3MBTL1SIRT1PARP10CYP1A2

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 SLC16A3 3204/4885SLC16A1 3547/4885ADRA1D 23/4885

“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.