SCHEMBL554431

SCHEMBL554431

C=Cc1ccnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
TDO2 P48775 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
EGFR P00533 1/20 0.33
MAPT P10636 3/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8324206 0.81 PTGS2 (0.44) PTGS1PTGS2HTR2BHTR5ATDO2
SCHEMBL10584953 0.79 PTGS1 (0.41) PTGS1PTGS2HTR2BHTR5ATDO2
SCHEMBL398500 0.77 PTGS1 (0.39) PTGS1PTGS2HTR2BHTR5ATDO2
SCHEMBL2977679 0.76 ALDH1A1 (0.44) NPC1RAB9AL3MBTL1MAPTKMT2A
SCHEMBL27650879 0.74 PTGS1 (0.35) PTGS1PTGS2HTR2BHTR5ATDO2
SCHEMBL15327832 0.74 CDC7 (0.46) KDM4EEGFRKMT2AALDH1A1
SCHEMBL27675760 0.73 ALDH1A1 (0.46) PTGS1PTGS2NPC1RAB9AMAPT
SCHEMBL1256788 0.73 KDM4E (0.45) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL996432 0.72 CCNA2 (0.45) PTGS1PTGS2HTR2BHTR5ATDO2
SCHEMBL10381277 0.72 HTR2B (0.41) PTGS1PTGS2HTR2BHTR5ATDO2

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
US-8110642-B2 Synthesis of vinylphenylpyridine and living anionic polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-02-07 US claimed
US-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-23 US claimed
WO-2007129810-A1 SYNTHESIS OF VINYLPHENYLPYRIDINE AND LIVING ANIONIC POLYMERIZATION GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-11-15 WO claimed
US-8110642-B2 Synthesis of vinylphenylpyridine and living anionic polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-02-07 US disclosed
US-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-23 US disclosed
WO-2007129810-A1 SYNTHESIS OF VINYLPHENYLPYRIDINE AND LIVING ANIONIC POLYMERIZATION GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-11-15 WO disclosed
WO-2007129810-A1 SYNTHESIS OF VINYLPHENYLPYRIDINE AND LIVING ANIONIC POLYMERIZATION GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-11-15 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-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization PBRM1, MVD, PCBP1 PTGS1 823/4885PTGS2 564/4885HTR2B 1601/4885

“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.