SCHEMBL17670471

SCHEMBL17670471

CC(=O)c1ccc(Cn2ccnc2CNCc2cc(C(=O)O)cc(C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.38
▸ HSP90AA1 P07900 3/20 0.37
▸ HSP90B1 P14625 3/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ AGTR2 P50052 1/20 0.37
▸ VCP P55072 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36

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
SCHEMBL17549883 0.90 HSP90AA1 (0.44) HSP90AA1HSP90B1TP53RAB9A
SCHEMBL17670434 0.84 KLKB1 (0.39) HSP90AA1HSP90B1HSP90AB1
SCHEMBL17549930 0.82 MEN1 (0.32) VCPMEN1KMT2A
SCHEMBL17670334 0.82 ALKBH1 (0.38) HSP90AA1HSP90B1
SCHEMBL17670496 0.81 ALDH1A1 (0.40) HSP90AA1HSP90B1VCPMEN1KMT2A
SCHEMBL17549907 0.81 BRD4 (0.34) VCPMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL17670484 0.80 HSP90AA1 (0.44) P2RY14HSP90AA1HSP90B1AGTR1AGTR2
SCHEMBL17683749 0.80 YTHDC1 (0.34) HSP90AA1HSP90B1KMT2AHSP90AB1
SCHEMBL17670498 0.79 HSP90B1 (0.40) HSP90B1MEN1KMT2A
SCHEMBL17544476 0.79 HSP90AA1 (0.43) HSP90AA1HSP90B1AGTR1AGTR2TP53

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 P2RY14 4827/4885HSP90AA1 820/4885HSP90B1 2301/4885

“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