SCHEMBL17984966

SCHEMBL17984966

CN(C)C/C=C/CNCc1cc(C=NC2CC2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ BACE1 P56817 1/20 0.31
▸ KDM5A P29375 1/20 0.30
▸ KDM5C P41229 1/20 0.30
▸ KDM5B Q9UGL1 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
SCHEMBL17984964 1.00 CYP3A4 (0.33) CYP3A4CYP2D6CXCR4BACE1KDM5A
SCHEMBL17984968 1.00 CYP3A4 (0.33) CYP3A4CYP2D6CXCR4BACE1KDM5A
SCHEMBL16006935 1.00 CYP3A4 (0.33) CYP3A4CYP2D6CXCR4BACE1KDM5A
SCHEMBL20041957 0.85 KDM5A (0.32) BACE1KDM5AKDM5CKDM5B
SCHEMBL16006900 0.81 KDM5B (0.36) KDM5AKDM5CKDM5B
SCHEMBL16293633 0.81 KDM5B (0.36) KDM5AKDM5CKDM5B
SCHEMBL16293636 0.81 KDM5B (0.36) KDM5AKDM5CKDM5B
SCHEMBL15994044 0.80 CHRM2 (0.36) CYP3A4CYP2D6CXCR4KDM5AKDM5C
SCHEMBL15994045 0.80 CHRM2 (0.36) CYP3A4CYP2D6CXCR4KDM5AKDM5C
SCHEMBL16006931 0.79 CHRM2 (0.39) CYP3A4CYP2D6CXCR4KDM5AKDM5C

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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CYP3A4 2124/4885CYP2D6 1643/4885CXCR4 4530/4885

“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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