SCHEMBL2546451

SCHEMBL2546451

NC1CCN(c2ccc3[nH]c(=O)c4sc(-c5ccc(O)c(O)c5)cc4c3c2)C1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 7/20 0.83
CHEK1 O14757 1/20 0.35
MAT2A P31153 1/20 0.33
KIF11 P52732 3/20 0.33
HTR2B P41595 2/20 0.33
HTR6 P50406 2/20 0.33
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CLK2 P49760 1/20 0.33
MAP4K2 Q12851 1/20 0.33
CAMK2D Q13557 1/20 0.33
DYRK1A Q13627 1/20 0.33
AURKB Q96GD4 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
STK17A Q9UEE5 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL15092757 1.00 NEK1 (0.83) NEK1CHEK1MAT2AKIF11HTR2B
Hydrochloric Acid SCHEMBL15092561 0.99 NEK1 (0.81) NEK1CHEK1MAT2AKIF11HTR2B
Hydrochloric Acid SCHEMBL15092563 0.99 NEK1 (0.81) NEK1CHEK1MAT2AKIF11HTR2B
SCHEMBL2550167 0.91 NEK1 (1.00) NEK1CHEK1MAT2AKIF11HTR2B
SCHEMBL15096676 0.91 NEK1 (1.00) NEK1CHEK1MAT2AKIF11HTR2B
SCHEMBL15092520 0.91 NEK1 (1.00) NEK1CHEK1MAT2AKIF11HTR2B
Hydrochloric Acid SCHEMBL15092509 0.90 NEK1 (0.98) NEK1CHEK1MAT2AKIF11HTR2B
Hydrochloric Acid SCHEMBL15092240 0.90 NEK1 (0.98) NEK1CHEK1MAT2AKIF11HTR2B
Hydrochloric Acid SCHEMBL15092241 0.90 NEK1 (0.98) NEK1CHEK1MAT2AKIF11HTR2B
Hydrochloric Acid SCHEMBL15092511 0.90 NEK1 (0.98) NEK1CHEK1MAT2AKIF11HTR2B

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 8 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
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 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-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

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 NEK1 62/4885CHEK1 145/4885MAT2A 3875/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 NEK1 62/4885CHEK1 145/4885MAT2A 3875/4885

“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.