SCHEMBL16305524

SCHEMBL16305524

COC(=O)CNCc1cc(/C=N/C2CC2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 11/20 0.36
▸ KDM5C P41229 7/20 0.36
▸ KDM4A O75164 3/20 0.36
▸ KDM4B O94953 2/20 0.36
▸ KDM5A P29375 5/20 0.34
▸ KDM4C Q9H3R0 2/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ KDM5D Q9BY66 1/20 0.33
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ MAPT P10636 1/20 0.31

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
SCHEMBL18860202 1.00 KDM5B (0.36) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL17984985 0.87 KDM5B (0.38) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL16006920 0.86 KDM5B (0.34) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL18831148 0.86 KDM5B (0.36) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL16305495 0.85 KDM5B (0.43) KDM5BKDM5CKDM4AKDM4BKDM5A
SCHEMBL16303320 0.81 KDM4E (0.40) —
SCHEMBL15995309 0.81 KDM4E (0.40) —
SCHEMBL16303315 0.79 KDM5B (0.38) KDM5BKDM5CKDM4AKDM5AKDM4C
SCHEMBL15995673 0.79 KDM5B (0.38) KDM5BKDM5CKDM4AKDM5AKDM4C
SCHEMBL20041957 0.79 KDM5A (0.32) KDM5BKDM5CKDM4AKDM5AKDM4C

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 6 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 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 KDM5B 27/4885KDM5C 16/4885KDM4A 20/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A KDM5B 27/4885KDM5C 16/4885KDM4A 20/4885

“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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