SCHEMBL6441689

SCHEMBL6441689

CCCc1c(N)c(C(N)=O)nn1CCN1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.34
CNR2 P34972 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL6807697 0.90 CCNA2 (0.37) KDM4EHSD17B10ALDH1A1TSHRCCNA2
SCHEMBL6443054 0.78 SMN1; SMN2 (0.40) KDM4EHSD17B10ALDH1A1TSHRTLR8
SCHEMBL6363517 0.75 GAA (0.46) KDM4EALDH1A1CCNA2CDK2CCNA1
SCHEMBL6442971 0.73 SMN1; SMN2 (0.40) ALDH1A1CCNA2CDK2CCNA1MEN1
SCHEMBL7550775 0.68 CNR2 (0.62) KDM4EALDH1A1TSHRPOLBHTT
SCHEMBL7003147 0.68 SMN1; SMN2 (0.43) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL6446771 0.68 PDE5A (0.36) MEN1KMT2A
Potassium Ion SCHEMBL7393155 0.68 ALDH1A1 (0.31) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7003153 0.67 SMN1; SMN2 (0.41) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL19615376 0.66 L3MBTL1 (0.41) KDM4EHSD17B10ALDH1A1TSHRPOLB

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 KDM4E 1840/4885HSD17B10 505/4885ALDH1A1 254/4885

“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.