SCHEMBL5037308

SCHEMBL5037308

Nc1cnc(NCCO)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAP4K4 O95819 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
MINK1 Q8N4C8 3/20 0.40
TYK2 P29597 2/20 0.40
SRPK1 Q96SB4 1/20 0.40
JAK2 O60674 3/20 0.39
CLK2 P49760 3/20 0.39
DYRK1A Q13627 3/20 0.39
ROCK2 O75116 2/20 0.39
GSK3B P49841 2/20 0.39
RPS6KB1 P23443 1/20 0.39
ROCK1 Q13464 1/20 0.39
NUDT1 P36639 1/20 0.39
TDO2 P48775 1/20 0.38

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
SCHEMBL10278912 0.77 JAK2 (0.33) ALDH1A1TYK2JAK2
SCHEMBL3301527 0.76 KDM4E (0.47) KDM4EALDH1A1POLBGAACYP2D6
SCHEMBL2645239 0.76 HCAR3 (0.49) KDM4EALDH1A1CYP2C19CLK4MKNK1
SCHEMBL530600 0.74 KDM4E (0.46) KDM4EALDH1A1POLBGAACYP2D6
SCHEMBL20470731 0.74 CYP2D6 (0.46) KDM4EALDH1A1POLBGAACYP2D6
SCHEMBL5037303 0.74 SIRT6 (0.46) KDM4EALDH1A1POLBGAACYP2D6
SCHEMBL5040443 0.73 L3MBTL1 (0.50) ALDH1A1CYP2D6CYP2C19NUDT1MAPK1
SCHEMBL10218046 0.72 CHEK1 (0.62) KDM4ENUDT1CDK1HRH4EGFR
SCHEMBL13101043 0.72 KDM4E (0.47) KDM4EALDH1A1POLBGAACYP2D6
SCHEMBL2644724 0.71 ALOX5AP (0.33)

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
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA KDM4E 3151/4885ALDH1A1 2820/4885POLB 2718/4885

“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.