SCHEMBL17670434

SCHEMBL17670434

Cc1cc(C(=O)O)cc(CNCc2nccn2Cc2cccc(CN)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 5/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ KLK6 Q92876 1/20 0.38
▸ HSP90AA1 P07900 3/20 0.36
▸ KLK1 P06870 2/20 0.36
▸ HSP90B1 P14625 2/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM4B O94953 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ YTHDC1 Q96MU7 1/20 0.34

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
SCHEMBL17670334 0.86 ALKBH1 (0.38) KLKB1HDAC1HSP90AA1KLK1HSP90B1
SCHEMBL17549883 0.84 HSP90AA1 (0.44) HSP90AA1HSP90B1LMNAKDM4AKDM5B
SCHEMBL17670471 0.84 P2RY14 (0.38) HSP90AA1HSP90B1HSP90AB1
SCHEMBL17670496 0.83 ALDH1A1 (0.40) HDAC1HSP90AA1HSP90B1HSP90AB1LMNA
SCHEMBL19522722 0.80 KDM4C (0.42) HDAC1HSP90AA1HSP90B1HSP90AB1
SCHEMBL17549907 0.78 BRD4 (0.34) LMNAKDM4AKDM4BKDM5CKDM5B
SCHEMBL17549930 0.77 MEN1 (0.32) KDM4AKDM5CKDM5B
SCHEMBL17670467 0.77 ADORA2A (0.34) LMNAKDM4AKDM5CKDM5B
SCHEMBL17683749 0.76 YTHDC1 (0.34) HSP90AA1HSP90B1HSP90AB1YTHDC1
SCHEMBL17544777 0.76 HSP90AA1 (0.36) HSP90AA1HSP90B1KDM4AKDM4BKDM5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 KLKB1 4561/4885HDAC1 29/4885PRSS1 2988/4885

“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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