SCHEMBL2572079

SCHEMBL2572079

COCCOc1ccccc1-c1ccc(CN)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.54
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
AR P10275 2/20 0.48
KDM4E B2RXH2 6/20 0.48
HTR7 P34969 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRB1 P08588 1/20 0.46
GAA P10253 1/20 0.45
REN P00797 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL2571712 0.86 TP53 (0.54) ADRB2TP53MAPK1RAB9AKDM4E
SCHEMBL2570595 0.84 TP53 (0.53) ADRB2TP53MAPK1RAB9AKDM4E
SCHEMBL10528636 0.83 ADRB2 (0.73) ADRB2TP53MAPK1RAB9AKDM4E
SCHEMBL2573378 0.83 TP53 (0.51) ADRB2TP53MAPK1RAB9AKDM4E
SCHEMBL28290206 0.82 PTPRC (0.53) ADRB2TP53MAPK1RAB9AHTR7
SCHEMBL2006742 0.82 HTR7 (0.51) HTR7TAAR1
Ammonia Solution, Strong SCHEMBL9905559 0.81 PTPRC (0.51) ADRB2TP53MAPK1RAB9AHTR7
SCHEMBL478309 0.79 HTR7 (0.56) ADRB2TP53MAPK1RAB9AAR
SCHEMBL20703665 0.78 ADRB2 (0.56) ADRB2TP53MAPK1RAB9AAR
SCHEMBL2564573 0.78 RXRA (0.59) TP53MAPK1RAB9AL3MBTL1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 ADRB2 2809/4885TP53 2626/4885MAPK1 2412/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP ADRB2 2661/4885TP53 1804/4885MAPK1 2755/4885

“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.