SCHEMBL16305498

SCHEMBL16305498

CCN(CCC#N)C(=O)CNCc1cc(/C=N/C2CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 14/20 0.48
▸ KDM5C P41229 8/20 0.48
▸ KDM5A P29375 7/20 0.48
▸ KDM4A O75164 2/20 0.48
▸ KDM6B O15054 1/20 0.48
▸ KDM2B Q8NHM5 1/20 0.48
▸ KDM4C Q9H3R0 2/20 0.47
▸ KDM5D Q9BY66 1/20 0.47
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ MLYCD O95822 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL15994048 1.00 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL19676485 0.86 KDM5B (0.55) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17364562 0.85 KDM5B (0.49) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994311 0.85 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994313 0.85 KDM5B (0.48) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16305495 0.82 KDM5B (0.43) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15637033 0.78 KDM5B (0.77) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15995673 0.78 KDM5B (0.38) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16303315 0.78 KDM5B (0.38) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL17984985 0.77 KDM5B (0.38) KDM5BKDM5CKDM5AKDM4AKDM6B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 16/4885KDM5A 21/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A KDM5B 27/4885KDM5C 16/4885KDM5A 21/4885

“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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