SCHEMBL930734

SCHEMBL930734

COCc1nnc(-c2ccc(Br)cn2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 5/20 0.39
POLB P06746 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 4/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 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
SCHEMBL930697 0.80 CA2 (0.48) CA2LMNARXFP1MAPTPOLB
SCHEMBL931205 0.80 POLB (0.39) LMNARXFP1MAPTPOLBL3MBTL1
SCHEMBL5115763 0.78 MAPT (0.58) LMNARXFP1MAPTPOLBL3MBTL1
SCHEMBL30622228 0.75 TDP1 (0.36) LMNARXFP1MAPTPOLBL3MBTL1
SCHEMBL29133136 0.75 TDP1 (0.36) LMNARXFP1MAPTPOLBL3MBTL1
SCHEMBL931228 0.75 NPC1 (0.37) MAPTPOLBL3MBTL1HPGDKMT2A
SCHEMBL930672 0.74 CA2 (0.51) CA2LMNAMAPTHTTHPGD
SCHEMBL5121195 0.74 CA2 (0.46) CA2LMNARXFP1MAPTPOLB
SCHEMBL931081 0.73 KMT2A (0.52) CA2LMNAMAPTPOLBKMT2A
SCHEMBL5119867 0.71 CA2 (0.43) CA2LMNAL3MBTL1HTTHPGD

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875615-B2 3-(4-Fluoro-2-methyl-phenyl)-6-[5-methoxymethyl-4-(6-methoxy-pyridin-3-yl)-4H-[1,2,4]triazol-3-yl]-pyridazine; treatment of male sexual dysfunction, female sexual dysfunction, hypoactive sexual desire disorder, sexual arousal disorder, orgasmic disorder, sexual pain disorder, or premature ejaculation PFIZER INC (US) 2011-01-25 US disclosed
US-7875615-B2 3-(4-Fluoro-2-methyl-phenyl)-6-[5-methoxymethyl-4-(6-methoxy-pyridin-3-yl)-4H-[1,2,4]triazol-3-yl]-pyridazine; treatment of male sexual dysfunction, female sexual dysfunction, hypoactive sexual desire disorder, sexual arousal disorder, orgasmic disorder, sexual pain disorder, or premature ejaculation PFIZER INC (US) 2011-01-25 US disclosed
US-7875615-B2 3-(4-Fluoro-2-methyl-phenyl)-6-[5-methoxymethyl-4-(6-methoxy-pyridin-3-yl)-4H-[1,2,4]triazol-3-yl]-pyridazine; treatment of male sexual dysfunction, female sexual dysfunction, hypoactive sexual desire disorder, sexual arousal disorder, orgasmic disorder, sexual pain disorder, or premature ejaculation PFIZER INC (US) 2011-01-25 US disclosed
US-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2010-03-11 US disclosed
US-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2010-03-11 US disclosed
US-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2010-03-11 US disclosed
US-7649003-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2010-01-19 US disclosed
US-7649003-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2010-01-19 US disclosed
US-7649003-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2010-01-19 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. PFIZER INC. 2005-05-19 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 (3 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-20100063064-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, PRLHR, KISS1R CA2 4500/4885LMNA 2767/4885RXFP1 124/4885
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. OXTR, OPRL1, NPY4R CA2 4300/4885LMNA 2479/4885RXFP1 280/4885
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists OXTR, PRLHR, KISS1R CA2 4500/4885LMNA 2767/4885RXFP1 124/4885

“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.