SCHEMBL17544777

SCHEMBL17544777

Cc1cc(C(=O)O)cc(CNCc2nccn2CCc2cncnc2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ BRD4 O60885 1/20 0.33
▸ KDM4A O75164 1/20 0.31
▸ KDM4B O94953 1/20 0.31
▸ KDM5C P41229 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ VNN1 O95497 2/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ WDR5 P61964 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ VCP P55072 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
SCHEMBL17544545 0.91 HSP90B1 (0.42) HSP90AA1HSP90B1BRD4KDM5B
SCHEMBL17670496 0.88 ALDH1A1 (0.40) HSP90AA1HSP90B1KDM4AKDM4BKDM5C
SCHEMBL17683749 0.86 YTHDC1 (0.34) HSP90AA1HSP90B1ADORA2AADORA1KMT2A
SCHEMBL17670498 0.84 HSP90B1 (0.40) HSP90B1MEN1KMT2A
SCHEMBL19522722 0.83 KDM4C (0.42) HSP90AA1HSP90B1BRD4MEN1KMT2A
SCHEMBL17670343 0.83 L3MBTL1 (0.41) L3MBTL1
SCHEMBL17670467 0.82 ADORA2A (0.34) KDM4AKDM5CKDM5BADORA2AADORA1
SCHEMBL17549907 0.80 BRD4 (0.34) BRD4KDM4AKDM4BKDM5CKDM5B
SCHEMBL17549930 0.79 MEN1 (0.32) KDM4AKDM5CKDM5BPIK3CAPIK3CG
SCHEMBL17670471 0.78 P2RY14 (0.38) HSP90AA1HSP90B1MEN1KMT2AVCP

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 9 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-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP 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
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — 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 (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 HSP90AA1 820/4885HSP90B1 2301/4885BRD4 212/4885

“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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