SCHEMBL219513

SCHEMBL219513

CCN(CC)Cc1ncnc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 2/20 0.30
MAP3K5 Q99683 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
SCHEMBL219034 0.85 KDM4A (0.37) KDM4AKDM4BKDM5CKDM5BALDH1A1
SCHEMBL15354464 0.83 KDM4A (0.50) KDM4AKDM4BKDM5CKDM5BALDH1A1
SCHEMBL253743 0.81 KDM4A (0.32) KDM4AKDM4BKDM5CKDM5B
SCHEMBL179431 0.81 KDM4A (0.32) KDM4AKDM4BKDM5CKDM5B
SCHEMBL129625 0.80 HTT (0.34) KDM4EALDH1A1HPGDHTTMAP3K5
Adenine SCHEMBL4648928 0.78 ADORA2A (0.40) ALDH1A1
SCHEMBL179416 0.78 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BALDH1A1
SCHEMBL15354460 0.78 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BALDH1A1
SCHEMBL27745562 0.77 HTT (0.36) KDM4EALDH1A1HPGDHTTMAP3K5
SCHEMBL7073447 0.75 HRH3 (0.41) HPGDHTT

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
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 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 (3 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA KDM4A 2492/4885KDM4B 2749/4885KDM5C 2023/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4A 4416/4885KDM4B 4213/4885KDM5C 3577/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB KDM4A 4241/4885KDM4B 4146/4885KDM5C 3856/4885

“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.