SCHEMBL16303307

SCHEMBL16303307

CC(C#N)NCc1ccnc(CNCCCN(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 5/20 0.38
▸ TERT O14746 2/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ KDM5B Q9UGL1 8/20 0.37
▸ KDM5C P41229 6/20 0.37
▸ FERMT2 Q96AC1 1/20 0.35
▸ KDM5A P29375 5/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ KDM4C Q9H3R0 2/20 0.34
▸ KDM5D Q9BY66 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 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
SCHEMBL18860200 0.87 SIRT2 (0.41) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL18880280 0.80 SIRT2 (0.37) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL16305525 0.77 TERT (0.44) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL15994303 0.77 TERT (0.38) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL15994241 0.76 KDM5B (0.36) SIRT2TERTKDM5BKDM5CKDM5A
SCHEMBL16292979 0.74 CHRM2 (0.41) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL16305488 0.73 CHRM2 (0.43) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL16006936 0.71 CXCR4 (0.39) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL18880299 0.71 KDM5C (0.43) SIRT2TERTCCNA2CDK2KDM5B
SCHEMBL18017098 0.70 SIRT2 (0.42) SIRT2TERTCCNA2CDK2KDM5B

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 15 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 claimed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US claimed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US claimed
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
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
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
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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 (2 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIRT2 592/4885TERT 1180/4885CCNA2 1306/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A SIRT2 592/4885TERT 1180/4885CCNA2 1306/4885

“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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