SCHEMBL17984969

SCHEMBL17984969

CN(C)CCCN=Cc1ccnc(CN)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ FERMT2 Q96AC1 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL16293473 0.82 TERT (0.39) KDM4EFERMT2
SCHEMBL16305531 0.82 TERT (0.39) KDM4EFERMT2
SCHEMBL17984983 0.80 CHRM2 (0.38) KDM4EFERMT2
SCHEMBL17984971 0.77 CHRM2 (0.40) KDM4EFERMT2
SCHEMBL16305536 0.77 CHRM2 (0.40) KDM4EFERMT2
SCHEMBL17984970 0.74 CHRM2 (0.32) —
SCHEMBL18831149 0.71 SRC (0.44) MEN1KMT2A
SCHEMBL18831150 0.71 SRC (0.44) MEN1KMT2A
SCHEMBL10616591 0.70 KDM4E (0.47) MAP1LC3BKDM4EMEN1KMT2APSMD14
SCHEMBL10616595 0.70 KDM4E (0.47) MAP1LC3BKDM4EMEN1KMT2APSMD14

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 MAP1LC3B 2663/4885KDM4E 14/4885CYP2D6 1643/4885

“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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