SCHEMBL7089303

SCHEMBL7089303

O=CC=Nc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 3/20 0.38
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 2/20 0.38
NOS3 P29474 2/20 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
SCHEMBL472063 0.75
SCHEMBL15798506 0.75
SCHEMBL7089009 0.74 PLG (0.38) MEN1KMT2AALDH1A1MAPTCYP2D6
SCHEMBL7089228 0.73 KMT2A (0.44) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL7116305 0.72 NOS3 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13590019 0.72 ALDH1A1 (0.37) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2477042 0.72
SCHEMBL2238457 0.72
SCHEMBL241301 0.71
SCHEMBL5174355 0.71 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161619-A1 Pyrroloquinoline and piperidoquinoline derivatives, preparation thereof, compositions containing them and uses thereof ASTRAZENECA AB (SE) 2007-07-12 US disclosed
WO-2003084662-A2 COVALENTLY FIXED LIGAND SYSTEMS, NON-METALLOCENE SYSTEMS AND CATALYST SYSTEMS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR POLYMERIZING OLEFINS CELANESE VENTURES GMBH (DE) 2003-10-16 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-20070161619-A1 Pyrroloquinoline and piperidoquinoline derivatives, preparation thereof, compositions containing them and uses thereof OPRL1, OPRD1, OPRK1 HTR3E 1339/4885HTR3B 420/4885HTR3A 373/4885

“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.