SCHEMBL10022104

SCHEMBL10022104

C=Cc1ccccc1-c1cccc(-c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CYP2A6 P11509 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP11B1 P15538 7/20 0.46
CYP11B2 P19099 6/20 0.46
CYP19A1 P11511 3/20 0.46
CYP17A1 P05093 1/20 0.46
ERN1 O75460 1/20 0.43
KMO O15229 1/20 0.43
FGFR1 P11362 1/20 0.41
EPHX2 P34913 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PDK2 Q15119 1/20 0.41
PIK3CA P42336 1/20 0.40

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
SCHEMBL10960411 0.89 CYP2A6 (0.50) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL10022103 0.87 CYP2A6 (0.50) MKNK1MKNK2CYP2A6ALDH1A1CYP1A2
SCHEMBL10022096 0.84 NOTUM (0.45) MKNK1CYP11B2CYP19A1ERN1FGFR1
SCHEMBL28284855 0.83 CYP2A6 (0.62) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL2463846 0.83 ALDH1A1 (0.43) ALDH1A1
SCHEMBL10022099 0.82 CYP2A6 (0.47) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL8759090 0.81 PTGER1 (0.41) MEN1ALDH1A1KMO
SCHEMBL27799996 0.80 CYP2A6 (0.58) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL31564925 0.80 CYP2A6 (0.58) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL12103445 0.77 CYP2A6 (0.79) MEN1PSIP1AXLMKNK1MKNK2

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 4 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 disclosed
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
US-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-23 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-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization PBRM1, MVD, PCBP1 MEN1 4056/4885PSIP1 354/4885AXL 2379/4885

“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.