SCHEMBL16293271

SCHEMBL16293271

C(=N\C1CC1)\c1ccnc(CNCCCCN2CCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HRH3 Q9Y5N1 12/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ FPR3 P25089 1/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL15994364 1.00 ALDH1A1 (0.37) ALDH1A1ALOX15TSHRL3MBTL1HRH3
SCHEMBL16006890 1.00 ALDH1A1 (0.37) ALDH1A1ALOX15TSHRL3MBTL1HRH3
SCHEMBL16303322 0.95 HRH3 (0.38) ALDH1A1ALOX15TSHRL3MBTL1HRH3
SCHEMBL17984992 0.95 HRH3 (0.38) ALDH1A1ALOX15TSHRL3MBTL1HRH3
SCHEMBL15994045 0.81 CHRM2 (0.36) ALOX15CHRM2CYP3A4CYP2D6
SCHEMBL15994044 0.81 CHRM2 (0.36) ALOX15CHRM2CYP3A4CYP2D6
SCHEMBL16006931 0.80 CHRM2 (0.39) ALOX15CHRM2CYP3A4CYP2D6
SCHEMBL15994176 0.80 CHRM2 (0.39) ALOX15CHRM2CYP3A4CYP2D6
SCHEMBL15994175 0.80 CHRM2 (0.39) ALOX15CHRM2CYP3A4CYP2D6
SCHEMBL16303327 0.79 SLC2A1 (0.41) —

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 ALDH1A1 1536/4885ALOX15 1831/4885TSHR 4309/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A ALDH1A1 1536/4885ALOX15 1831/4885TSHR 4309/4885

“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