SCHEMBL5040443

SCHEMBL5040443

Nc1cnc(NCCc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
SLC29A1 Q99808 1/20 0.48
APP P05067 3/20 0.48
HTR7 P34969 3/20 0.46
LMNA P02545 2/20 0.45
EGFR P00533 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL6469221 0.83 MEN1 (0.57) APPEGFRALDH1A1SMN1; SMN2HDAC3
SCHEMBL4967404 0.80 HRH4 (0.52) L3MBTL1SLC29A1APPLMNANPC1
SCHEMBL5040442 0.77 KDM4E (0.54) NPC1RAB9AALDH1A1SMN1; SMN2HDAC3
SCHEMBL3956283 0.75 ALDH1A1 (0.70) L3MBTL1HTR7NPC1RAB9AALDH1A1
SCHEMBL31065714 0.74 ALDH1A1 (0.42) L3MBTL1SLC29A1APPHTR7LMNA
SCHEMBL30223599 0.73 KDM4E (0.66) L3MBTL1APPLMNAEGFRMAPK1
SCHEMBL18912907 0.73 KDM4E (0.66) L3MBTL1APPLMNAEGFRMAPK1
SCHEMBL11561635 0.73 RAB9A (0.63) L3MBTL1HTR7LMNANPC1RAB9A
SCHEMBL5037308 0.73 KDM4E (0.47) LMNAEGFRMAPK1RAB9AALDH1A1
SCHEMBL29594283 0.72 CYP1A2 (0.68) L3MBTL1HTR7NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA L3MBTL1 391/4885SLC29A1 3134/4885APP 1/4885

“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.