SCHEMBL17984961

SCHEMBL17984961

N#CCNCc1ccnc(CNCCCCNC2(Cc3ccccc3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.36
▸ SCN8A Q9UQD0 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM4B O94953 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ SIRT2 Q8IXJ6 3/20 0.35
▸ SIGMAR1 Q99720 3/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NOS1 P29475 1/20 0.32

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
SCHEMBL16293825 0.80 CHRM2 (0.39) CHRM2MAOAKDM4AKDM4BKDM5C
SCHEMBL16006933 0.75 CXCR4 (0.37) CHRM2MAOAKDM4AKDM4BKDM5C
SCHEMBL16291866 0.70 KDM5B (0.44) KDM4AKDM4BKDM5CKDM5BALDH1A1
SCHEMBL18860206 0.64 CHRM2 (0.42) CHRM2SCN8AKDM4AKDM4BKDM5C
SCHEMBL16006934 0.64 KDM5B (0.49) KDM4AKDM4BKDM5CKDM5B
SCHEMBL653443 0.64 MEN1 (0.56) CHRM2MAOASIGMAR1MEN1KMT2A
SCHEMBL16006938 0.64 SIGMAR1 (0.54) KDM5BSIRT2SIGMAR1MEN1ALDH1A1
SCHEMBL17984960 0.63 CHRM2 (0.56) CHRM2SCN8AMAOASIRT2ALDH1A1
SCHEMBL16293030 0.63 TMEM97 (0.56) KDM5BSIRT2SIGMAR1MEN1ALDH1A1
SCHEMBL12845427 0.63 CTSB (0.36) SIRT2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — 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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885SCN8A 3771/4885MAOA 1678/4885

“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.

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