SCHEMBL16006933

SCHEMBL16006933

N#CCNCc1ccnc(CNCCCCN(Cc2ccccc2)C2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ KDM5B Q9UGL1 2/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 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
SCHEMBL16293306 0.81 CHRM2 (0.55) CXCR4CYP3A4CYP2D6KMT2AACKR3
SCHEMBL16006904 0.81 ACKR3 (0.39) CXCR4CYP3A4CYP2D6KMT2AACKR3
SCHEMBL15994243 0.80 HDAC3 (0.35) CXCR4ACKR3KDM5B
SCHEMBL17984961 0.75 CHRM2 (0.36) KMT2ASIGMAR1SIRT2CHRM2KDM5B
SCHEMBL16291869 0.72 KDM5B (0.50) ACKR3KDM5BKDM4AKDM4BKDM5C
SCHEMBL16006938 0.71 SIGMAR1 (0.54) KMT2AACKR3SIGMAR1SIRT2KDM5B
SCHEMBL15636990 0.70 KDM5B (0.60) ACKR3KDM5BKDM4AKDM4BKDM5C
SCHEMBL16293030 0.70 TMEM97 (0.56) KMT2AACKR3SIGMAR1SIRT2KDM5B
SCHEMBL16006936 0.69 CXCR4 (0.39) CXCR4SIRT2CHRM2KDM5BKDM4A
SCHEMBL19574653 0.69 KDM5B (0.70) ACKR3KDM5BKDM4AKDM4BKDM5C

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 16 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
CN-105263906-B The inhibitor of histone demethylase 吉利德科学公司 2018-11-23 — — CN disclosed
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
WO-2014131777-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2014-09-04 — — WO 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 CXCR4 4530/4885CYP3A4 2124/4885CYP2D6 1643/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CXCR4 4530/4885CYP3A4 2124/4885CYP2D6 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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