SCHEMBL18017098

SCHEMBL18017098

CN(C)CCCNCc1cc(C=N)ccn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 6/20 0.42
▸ TERT O14746 2/20 0.42
▸ FERMT2 Q96AC1 1/20 0.39
▸ KDM5C P41229 6/20 0.38
▸ KDM5B Q9UGL1 6/20 0.38
▸ KDM5A P29375 5/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ KDM4C Q9H3R0 2/20 0.37
▸ KDM5D Q9BY66 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL16292333 0.84 KDM5B (0.40) SIRT2TERTFERMT2KDM5CKDM5B
SCHEMBL16303335 0.83 CHRM2 (0.41) SIRT2KDM5CKDM5BKDM5AKDM6B
SCHEMBL16293382 0.83 CHRM2 (0.42) SIRT2TERTFERMT2KDM5CKDM5B
SCHEMBL16305536 0.82 CHRM2 (0.40) SIRT2TERTFERMT2KDM5CKDM5B
SCHEMBL16305531 0.82 TERT (0.39) SIRT2TERTFERMT2KDM5CKDM5B
SCHEMBL16293473 0.82 TERT (0.39) SIRT2TERTFERMT2KDM5CKDM5B
SCHEMBL17984971 0.82 CHRM2 (0.40) SIRT2TERTFERMT2KDM5CKDM5B
SCHEMBL16292516 0.81 TERT (0.38) SIRT2TERTFERMT2KDM5CKDM5B
SCHEMBL16303318 0.81 TERT (0.38) SIRT2TERTFERMT2KDM5CKDM5B
SCHEMBL17984983 0.80 CHRM2 (0.38) SIRT2TERTFERMT2KDM5CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
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 592/4885TERT 1180/4885FERMT2 3107/4885

“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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