SCHEMBL2554877

SCHEMBL2554877

COc1cncc(-c2c(OC)ccc3[nH]c(=O)c4c(c23)CCC4)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 5/20 0.42
CYP1A2 P05177 4/20 0.42
PARP1 P09874 2/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
PDE4B Q07343 2/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NEK1 Q96PY6 5/20 0.37
BRD4 O60885 2/20 0.37
DCTPP1 Q9H773 1/20 0.36
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
BACE1 P56817 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
Hydrochloric Acid SCHEMBL16858731 0.99 CYP11B1 (0.41) CYP11B1CYP11B2CYP1A2PARP1CYP3A4
SCHEMBL2549069 0.77 NEK1 (0.60) NEK1
Hydrochloric Acid SCHEMBL15092209 0.77 NEK1 (0.59) NEK1
SCHEMBL2554586 0.73 NEK1 (0.51) PARP1NEK1
SCHEMBL2558714 0.72 NEK1 (0.51) PARP1NEK1
SCHEMBL15092369 0.72 PARP1 (0.49) PARP1PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL15092263 0.72 NEK1 (0.50) PARP1NEK1
SCHEMBL2554010 0.69 NEK1 (0.66) PARP1NEK1
SCHEMBL2553660 0.67 PARP1 (0.69) CYP1A2PARP1CYP3A4CYP2C9
SCHEMBL12501792 0.65 ESR2 (0.44) PARP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US claimed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US claimed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP claimed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO claimed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 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 (2 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-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 CYP11B1 3080/4885CYP11B2 2796/4885CYP1A2 3503/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 CYP11B1 3080/4885CYP11B2 2796/4885CYP1A2 3503/4885

“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.