SCHEMBL29029201

SCHEMBL29029201

C=C[C@H](c1ccccc1)c1cnc2c(c1)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.35
ADRA2B P18089 3/20 0.35
ADRA2C P18825 3/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MAPT P10636 5/20 0.33
KDM4E B2RXH2 4/20 0.33
CYP3A4 P08684 3/20 0.33
ALOX15 P16050 3/20 0.33
TP53 P04637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 3/20 0.30
USP2 O75604 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL29029204 1.00 ADRA2A (0.35) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL30491128 1.00 ADRA2A (0.35) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL29029193 0.70 PDGFRB (0.46) MAPTKDM4ECYP3A4ALOX15ALDH1A1
SCHEMBL29029194 0.70 PDGFRB (0.46) MAPTKDM4ECYP3A4ALOX15ALDH1A1
SCHEMBL30491145 0.70 PDGFRB (0.46) MAPTKDM4ECYP3A4ALOX15ALDH1A1
SCHEMBL246438 0.70 KDM4E (0.53) MAPTKDM4ECYP3A4ALOX15TP53
SCHEMBL1615698 0.70 ADRA2A (0.44) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL23349333 0.68 ADRA2A (0.42) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL17177529 0.68 ADRA2A (0.42) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL28639731 0.68 KDM4E (0.52) MAPTKDM4ECYP3A4ALOX15TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116856-A1 METHOD FOR PREPARING META-(CHIRAL ALLYL)-SUBSTITUTED PYRIDINE COMPOUND NANKAI UNIVERSITY (CN) 2026-04-30 US disclosed
WO-2024216732-A1 METHOD FOR PREPARING PYRIDINE COMPOUND WITH META POSITION THEREOF SUBSTITUTED BY CHIRAL ALLYL 南开大学 2024-10-24 WO disclosed
CN-116396211-A Method for preparing meta-chiral allyl substituted pyridine compound 南开大学 2023-07-07 CN 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-20260116856-A1 METHOD FOR PREPARING META-(CHIRAL ALLYL)-SUBSTITUTED PYRIDINE COMPOUND GAPVD1, TDO2, NOD1 ADRA2A 168/4885ADRA2B 485/4885ADRA2C 289/4885

“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.