SCHEMBL16293073

SCHEMBL16293073

CN(CCCNCc1cc(C=NC2CC2)ccn1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 6/20 0.45
▸ SIGMAR1 Q99720 5/20 0.45
▸ KDM5B Q9UGL1 1/20 0.41
▸ CYP2D6 P10635 2/20 0.37
▸ SIRT2 Q8IXJ6 2/20 0.37
▸ APP P05067 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16006932 1.00 TMEM97 (0.45) TMEM97SIGMAR1KDM5BCYP2D6SIRT2
SCHEMBL16293072 1.00 TMEM97 (0.45) TMEM97SIGMAR1KDM5BCYP2D6SIRT2
SCHEMBL15994045 0.83 CHRM2 (0.36) KDM5BCYP2D6SIRT2KDM4E
SCHEMBL15994044 0.83 CHRM2 (0.36) KDM5BCYP2D6SIRT2KDM4E
SCHEMBL15994175 0.82 CHRM2 (0.39) KDM5BCYP2D6SIRT2KDM4E
SCHEMBL15994176 0.82 CHRM2 (0.39) KDM5BCYP2D6SIRT2KDM4E
SCHEMBL16006931 0.82 CHRM2 (0.39) KDM5BCYP2D6SIRT2KDM4E
SCHEMBL16006938 0.77 SIGMAR1 (0.54) TMEM97SIGMAR1KDM5BSIRT2APP
SCHEMBL16293406 0.77 TMEM97 (0.54) TMEM97SIGMAR1KDM5BSIRT2APP
SCHEMBL20041957 0.77 KDM5A (0.32) KDM5BSIRT2BACE1

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 9 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-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-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-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 TMEM97 3238/4885SIGMAR1 2943/4885KDM5B 27/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A TMEM97 3238/4885SIGMAR1 2943/4885KDM5B 27/4885

“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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