SCHEMBL17984955

SCHEMBL17984955

CN(C)CCNCc1ccnc(CNCCC(CN)Cc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 5/20 0.39
▸ VSIR Q9H7M9 2/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM5B Q9UGL1 5/20 0.36
▸ KDM5C P41229 4/20 0.36
▸ KDM4A O75164 2/20 0.36
▸ KDM4B O94953 1/20 0.36
▸ EGFR P00533 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ KDM5A P29375 2/20 0.34
▸ KDM6B O15054 1/20 0.34

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
SCHEMBL17984972 0.85 ROCK1 (0.38) SIRT2MEN1KMT2AKDM5BKDM5C
SCHEMBL16293032 0.83 SIRT2 (0.40) SIRT2VSIRMAP4K4MEN1MAPT
SCHEMBL16293030 0.76 TMEM97 (0.56) SIRT2VSIRMEN1KMT2AKDM5B
SCHEMBL18880299 0.75 KDM5C (0.43) SIRT2VSIRMAP4K4KDM5BKDM5C
SCHEMBL15994111 0.69 KDM5B (0.56) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL16305525 0.69 TERT (0.44) SIRT2TDP1KDM5BKDM5CKDM4A
SCHEMBL133622 0.69 MEN1 (0.64) VSIRMEN1MAPTKMT2ATDP1
SCHEMBL19582240 0.68 TERT (0.43) SIRT2KDM5BKDM5CKDM4AKDM5A
SCHEMBL16292675 0.68 SIGMAR1 (0.41) SIRT2KDM5BKDM5CKDM4AKDM4B
SCHEMBL16292979 0.68 CHRM2 (0.41) SIRT2TDP1KDM5BKDM5CKDM4A

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 SIRT2 592/4885VSIR 3058/4885MAP4K4 4278/4885

“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.

Send feedback