SCHEMBL16006904

SCHEMBL16006904

O=Cc1ccnc(CNCCCCN(Cc2ccccc2)C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.39
▸ CHRM2 P08172 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ CXCR4 P61073 3/20 0.35
▸ KDM5B Q9UGL1 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM4B O94953 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ YTHDC1 Q96MU7 1/20 0.35
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ LMNA P02545 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ KDM4C Q9H3R0 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 0.84 CHRM2 (0.55) ACKR3CHRM2KMT2ACXCR4CYP3A4
SCHEMBL16293699 0.84 ACKR3 (0.39) ACKR3KMT2AKDM5BYTHDC1OPRM1
SCHEMBL16006933 0.81 CXCR4 (0.37) ACKR3CHRM2KMT2ACXCR4KDM5B
SCHEMBL15994096 0.77 HDAC3 (0.36) ACKR3KMT2AKDM5BLMNAKDM4C
SCHEMBL16291869 0.76 KDM5B (0.50) ACKR3KDM5BKDM4AKDM4BKDM5C
SCHEMBL16292333 0.75 KDM5B (0.40) CHRM2KDM5BKDM4AKDM5CSIRT2
SCHEMBL16293382 0.74 CHRM2 (0.42) CHRM2KDM5BKDM4AKDM5CSIRT2
SCHEMBL16293825 0.74 CHRM2 (0.39) CHRM2KDM5BSIGMAR1KDM4AKDM4B
SCHEMBL16006930 0.73 CHRM2 (0.41) CHRM2CXCR4KDM5BKDM4AKDM5C
SCHEMBL15636990 0.72 KDM5B (0.60) 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 ACKR3 4524/4885CHRM2 3004/4885KMT2A 41/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A ACKR3 4524/4885CHRM2 3004/4885KMT2A 41/4885

“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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