SCHEMBL2553281

SCHEMBL2553281

COc1csc2c(=O)[nH]c3ccccc3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PPARG P37231 1/20 0.52
NCOA2 Q15596 1/20 0.52
NCOA1 Q15788 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
TNKS O95271 2/20 0.50
TNKS2 Q9H2K2 2/20 0.50
ABCG2 Q9UNQ0 3/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
HPGD P15428 2/20 0.46
HCRTR1 O43613 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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 SCHEMBL2550115 0.99 CYP1A2 (0.51) CYP1A2SMN1; SMN2HTTNPSR1PPARG
SCHEMBL15095005 0.85 TNKS (0.47) CYP1A2SMN1; SMN2HTTNPSR1PPARG
SCHEMBL2553122 0.80 TNKS2 (0.54) CYP1A2SMN1; SMN2HTTNPSR1PPARG
SCHEMBL2547614 0.79 CHEK1 (0.43) TNKSTNKS2ABCG2KDM4EALDH1A1
SCHEMBL16858741 0.79 PARP1 (0.41) CYP1A2SMN1; SMN2HTTNPSR1PPARG
Hydrochloric Acid SCHEMBL14672733 0.79 TNKS2 (0.53) CYP1A2SMN1; SMN2HTTNPSR1PPARG
Bromide SCHEMBL16858709 0.79 TNKS2 (0.53) CYP1A2SMN1; SMN2HTTNPSR1PPARG
Hydrochloric Acid SCHEMBL15092557 0.78 CHEK1 (0.42) TNKSTNKS2ABCG2KDM4EALDH1A1
SCHEMBL2549110 0.77 TNKS (0.58) CYP1A2SMN1; SMN2HTTNPSR1PPARG
Hydrochloric Acid SCHEMBL2550916 0.77 TNKS (0.50) CYP1A2SMN1; SMN2HTTNPSR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 3503/4885SMN1; SMN2 2994/4885HTT 3168/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 CYP1A2 3503/4885SMN1; SMN2 2994/4885HTT 3168/4885

“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.