SCHEMBL2550167

SCHEMBL2550167

NC1CCN(c2ccc3[nH]c(=O)c4sc(-c5ccc(O)cc5)cc4c3c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 2/20 1.00
KIF11 P52732 8/20 0.40
CHEK1 O14757 1/20 0.38
HTR2B P41595 4/20 0.35
HTR6 P50406 4/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CLK2 P49760 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2D Q13557 1/20 0.35
DYRK1A Q13627 1/20 0.35
AURKB Q96GD4 1/20 0.35
PRKD2 Q9BZL6 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
SCHEMBL15092520 1.00 NEK1 (1.00) NEK1KIF11CHEK1HTR2BHTR6
SCHEMBL15096676 1.00 NEK1 (1.00) NEK1KIF11CHEK1HTR2BHTR6
Hydrochloric Acid SCHEMBL15092511 0.99 NEK1 (0.98) NEK1KIF11CHEK1HTR2BHTR6
Hydrochloric Acid SCHEMBL15092241 0.99 NEK1 (0.98) NEK1KIF11CHEK1HTR2BHTR6
Hydrochloric Acid SCHEMBL15092509 0.99 NEK1 (0.98) NEK1KIF11CHEK1HTR2BHTR6
Hydrochloric Acid SCHEMBL15092240 0.99 NEK1 (0.98) NEK1KIF11CHEK1HTR2BHTR6
SCHEMBL2546451 0.91 NEK1 (0.83) NEK1KIF11CHEK1HTR2BHTR6
SCHEMBL15092757 0.91 NEK1 (0.83) NEK1KIF11CHEK1HTR2BHTR6
Hydrochloric Acid SCHEMBL15092563 0.90 NEK1 (0.81) NEK1KIF11CHEK1HTR2BHTR6
Hydrochloric Acid SCHEMBL15092561 0.90 NEK1 (0.81) NEK1KIF11CHEK1HTR2BHTR6

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 10 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-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 62/4885KIF11 2014/4885CHEK1 145/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 NEK1 62/4885KIF11 2014/4885CHEK1 145/4885

“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.