SCHEMBL17549907

SCHEMBL17549907

Cc1cc(C(=O)O)cc(CNCc2nccn2CC(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ KDM5B Q9UGL1 4/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ KDM4A O75164 2/20 0.31
▸ KDM5C P41229 2/20 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
SCHEMBL17670467 0.89 ADORA2A (0.34) KDM5BMEN1KMT2ANPSR1TDP1
SCHEMBL17549930 0.84 MEN1 (0.32) KDM5BMEN1KMT2ANPSR1TDP1
SCHEMBL17683749 0.82 YTHDC1 (0.34) KMT2AADORA2AADORA1
SCHEMBL17670496 0.81 ALDH1A1 (0.40) KDM5BMEN1KMT2ANPSR1TDP1
SCHEMBL17549883 0.81 HSP90AA1 (0.44) KDM5BRAB9APIK3CAPIK3CGKDM4A
SCHEMBL17670471 0.81 P2RY14 (0.38) MEN1KMT2ARAB9AVCPSMN1; SMN2
SCHEMBL17544777 0.80 HSP90AA1 (0.36) BRD4KDM5BMEN1KMT2ANPSR1
SCHEMBL19522722 0.79 KDM4C (0.42) BRD4MEN1KMT2A
SCHEMBL17670434 0.78 KLKB1 (0.39) KDM5BKDM4AKDM5CLMNAKDM4B
SCHEMBL17670498 0.78 HSP90B1 (0.40) MEN1KMT2A

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
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
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 BRD4 212/4885KDM5B 24/4885MEN1 3634/4885

“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.

Send feedback