SCHEMBL5134065

SCHEMBL5134065

Nc1cnc(CNCc2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ROCK1 Q13464 1/20 0.47
EGFR P00533 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHFR P00374 1/20 0.43
F2 P00734 2/20 0.42
BCHE P06276 2/20 0.42
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
IL6 P05231 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAOA P21397 1/20 0.40
POLB P06746 1/20 0.40
IDO1 P14902 1/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL28091212 0.78 MEN1 (0.46) MEN1KMT2AEGFRTLR7
SCHEMBL5134062 0.78 OPRM1 (0.52) ROCK1EGFRKDM4AKDM4BKDM5C
SCHEMBL6469221 0.74 MEN1 (0.57) MEN1KMT2AEGFRPOLBBACE1
SCHEMBL28117672 0.74 ALDH1A1 (0.57) MEN1KMT2ATDP1BCHEKDM4A
SCHEMBL25375347 0.72 HTR1A (0.45) MEN1KMT2ATDP1BCHEKDM4A
SCHEMBL25376070 0.72 MEN1 (0.44) MEN1KMT2ATDP1BCHEKDM4A
SCHEMBL30482155 0.72 MEN1 (0.44) MEN1KMT2ATDP1BCHEKDM4A
SCHEMBL25373983 0.72 MEN1 (0.44) MEN1KMT2ATDP1BCHEKDM4A
SCHEMBL6469053 0.72 CASR (0.50) MEN1KMT2ACYP1A2CYP2D6ALOX15
SCHEMBL5799878 0.72 MEN1 (0.78) MEN1KMT2ATDP1BCHEMAOA

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 7 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
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 MEN1 978/4885KMT2A 2085/4885ROCK1 411/4885

“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.