SCHEMBL4937288

SCHEMBL4937288

CCCCCc1cn2cc3ccccc3nc2n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.44
KCNH2 Q12809 1/20 0.44
CYP19A1 P11511 6/20 0.39
PDE10A Q9Y233 1/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL860157 0.73 KCNH2 (0.58) TLR8KCNH2PDE10ASMN1; SMN2LMNA
SCHEMBL797638 0.71 KCNH2 (0.61) TLR8KCNH2PDE10ASMN1; SMN2LMNA
SCHEMBL29903853 0.71 KCNH2 (0.61) TLR8KCNH2PDE10ASMN1; SMN2LMNA
SCHEMBL29903876 0.71 KCNH2 (0.61) TLR8KCNH2PDE10ASMN1; SMN2LMNA
SCHEMBL6114801 0.71 KCNH2 (0.61) TLR8KCNH2PDE10ASMN1; SMN2LMNA
SCHEMBL5367040 0.71 KCNH2 (0.61) TLR8KCNH2PDE10ASMN1; SMN2LMNA
SCHEMBL6115276 0.71 KCNH2 (0.61) TLR8KCNH2PDE10ASMN1; SMN2LMNA
SCHEMBL2514450 0.71 KCNH2 (0.61) TLR8KCNH2PDE10ASMN1; SMN2LMNA
SCHEMBL6115301 0.71 KCNH2 (0.61) TLR8KCNH2PDE10ASMN1; SMN2LMNA
SCHEMBL6114960 0.71 KCNH2 (0.61) TLR8KCNH2PDE10ASMN1; SMN2LMNA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009498-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use NITROMED, INC. (US) 2008-01-10 US disclosed
US-20060063774-A1 Phosphodiesterase inhibitor compounds and nitric oxide donors GARVEY DAVID S 2006-03-23 US disclosed
EP-1109543-A4 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-03-08 EP disclosed
US-6930113-B2 Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use NITROMED, INC. (US) 2005-08-16 US disclosed
US-20040087591-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use GARVEY DAVID S (US) 2004-05-06 US disclosed
US-20030158184-A1 Nitrosated and nitrosylated phosphodiesterase inhibitor compounds, compositions and their uses GARVEY DAVID S (US) 2003-08-21 US disclosed
US-20030023087-A1 Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use GARVEY DAVID S (US) 2003-01-30 US disclosed
US-6472425-B1 Methods for treating female sexual dysfunctions NITROMED, INC. 2002-10-29 US disclosed
US-6462044-B2 THERAPY FOR SEXUAL DISORDERS NITROMED, INC. 2002-10-08 US disclosed
US-20020019405-A1 Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use GARVEY DAVID S (US) 2002-02-14 US disclosed
US-6177428-B1 TREATMENT OF SEXUAL DYSFUNCTION; STIMULATION OF ENDOGENOUS NITROGEN MONOXIDE SYNTHESIS NITROMED, INC. 2001-01-23 US disclosed
US-6172068-B1 SEXUAL DISORDERS NITROMED, INC. 2001-01-09 US disclosed
US-6172060-B1 THERAPY FOR SEXUAL DISORDERS NITROMED, INC. 2001-01-09 US disclosed
US-6133272-A Nitrosated and nitrosylated phosphodiesterase inhibitor compounds, compositions and their uses NITROMED, INC. (US) 2000-10-17 US disclosed
WO-2000012076-A9 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2000-08-17 WO disclosed
EP-0941086-A4 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES NITROMED INC (US) 2000-07-12 EP disclosed
WO-2000012076-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 WO disclosed
EP-0941086-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES Nitromed, Inc. (US) 1999-09-15 EP disclosed
WO-1998019672-A9 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES 1998-09-11 WO disclosed
WO-1998019672-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES NITROMED INC. (US) 1998-05-14 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 (6 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-20030023087-A1 Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use PDE3A, PDE5A, PTGIS TLR8 4303/4885KCNH2 867/4885CYP19A1 61/4885
US-20020019405-A1 Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use PDE3A, PDE5A, PTGIS TLR8 4303/4885KCNH2 867/4885CYP19A1 61/4885
US-20080009498-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use PDE3A, PDE3B, PDE2A TLR8 3231/4885KCNH2 1819/4885CYP19A1 66/4885
US-20040087591-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use PDE3A, PDE3B, PDE5A TLR8 3837/4885KCNH2 703/4885CYP19A1 88/4885
US-20030158184-A1 Nitrosated and nitrosylated phosphodiesterase inhibitor compounds, compositions and their uses PDE3A, PDE3B, PDE2A TLR8 4483/4885KCNH2 2463/4885CYP19A1 64/4885
US-20060063774-A1 Phosphodiesterase inhibitor compounds and nitric oxide donors PDE3B, PDE3A, PDE5A TLR8 3767/4885KCNH2 1962/4885CYP19A1 126/4885

“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.