SCHEMBL2889261

SCHEMBL2889261

CCOP(=O)(Cc1ccc(-c2ccc(CP(=O)(OCC)OCC)cn2)nc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.42
CDK9 P50750 5/20 0.42
KDM4E B2RXH2 1/20 0.41
NPY5R Q15761 1/20 0.40
PTK2 Q05397 3/20 0.40
TSHR P16473 1/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
TP53 P04637 1/20 0.36
BTK Q06187 2/20 0.35
POLB P06746 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
SCHEMBL12171435 0.92 CCNT1 (0.38) CCNT1CDK9KDM4ENPY5RPTK2
SCHEMBL1107405 0.86 KDM4E (0.40) CCNT1CDK9KDM4ENPY5RPTK2
SCHEMBL1107408 0.85 GABRP (0.44) CCNT1CDK9KDM4ENPY5RPTK2
SCHEMBL12304557 0.85 TLR8 (0.38) CCNT1CDK9KDM4ENPY5RPTK2
SCHEMBL2695837 0.85 ALDH1A1 (0.43) KDM4ENPY5RPTK2RAB9AMAPT
SCHEMBL3375825 0.82 TSHR (0.50) CCNT1CDK9NPY5RPTK2TSHR
SCHEMBL12171434 0.82 KDM4E (0.37) CCNT1CDK9KDM4ENPY5RPTK2
SCHEMBL21408253 0.82 TLR8 (0.37) CCNT1CDK9KDM4ENPY5RPTK2
SCHEMBL21408260 0.82 TLR8 (0.37) CCNT1CDK9KDM4ENPY5RPTK2
SCHEMBL31418393 0.82 TLR8 (0.37) CCNT1CDK9KDM4ENPY5RPTK2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170057946-A1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-03-02 US claimed
EP-2663554-B1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-05-18 EP claimed
US-20140023883-A1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-01-23 US claimed
EP-2663554-A1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-11-20 EP claimed
US-8372649-B2 End-capped bipyridine compound, process for preparation thereof and process for selective detection of cyanide anions therewith COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-02-12 US claimed
US-8344150-B2 Pyrrole end-capped bipyridine assay powder for selective detection of zinc ions and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-01-01 US claimed
US-20120231547-A1 Reusable End-Capped Bipyridine Compound Useful For Selective Detection Of Cyanide Anions And Process For Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-09-13 US claimed
WO-2012110945-A1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 WO claimed
US-20100284858-A1 PYRROLE END-CAPPED BIPYRIDINE ASSAY POWDER FOR SELECTIVE DETECTION OF ZINC IONS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-11-11 US claimed
WO-2009084007-A1 PYRROLE END-CAPPED BIPYRIDINE ASSAY POWDER FOR SELECTIVE DETECTION OF ZINC IONS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-07-09 WO claimed
US-10144722-B2 Carbazole end capped bipyridine compounds and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-12-04 US disclosed
US-20170057946-A1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-03-02 US disclosed
US-20170057946-A1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-03-02 US disclosed
US-9493488-B2 Carbazole end capped bipyridine compounds and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-15 US disclosed
EP-2663554-B1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-05-18 EP disclosed
US-20120231547-A1 Reusable End-Capped Bipyridine Compound Useful For Selective Detection Of Cyanide Anions And Process For Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-09-13 US disclosed
US-20120231547-A1 Reusable End-Capped Bipyridine Compound Useful For Selective Detection Of Cyanide Anions And Process For Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-09-13 US disclosed
WO-2012110945-A1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 WO disclosed
US-20100284858-A1 PYRROLE END-CAPPED BIPYRIDINE ASSAY POWDER FOR SELECTIVE DETECTION OF ZINC IONS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-11-11 US disclosed
WO-2009084007-A1 PYRROLE END-CAPPED BIPYRIDINE ASSAY POWDER FOR SELECTIVE DETECTION OF ZINC IONS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-07-09 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 (5 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-20120231547-A1 Reusable End-Capped Bipyridine Compound Useful For Selective Detection Of Cyanide Anions And Process For Preparation Thereof KCNN4, CACYBP, CHERP CCNT1 878/4885CDK9 1180/4885KDM4E 1232/4885
US-20100284858-A1 PYRROLE END-CAPPED BIPYRIDINE ASSAY POWDER FOR SELECTIVE DETECTION OF ZINC IONS AND A PROCESS FOR THE PREPARATION THEREOF KCNN4, KCNMA1, CACNA2D1 CCNT1 2747/4885CDK9 2256/4885KDM4E 1010/4885
US-20140023883-A1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF SLC39A3, SLC30A7, ZKSCAN2 CCNT1 1528/4885CDK9 2218/4885KDM4E 1648/4885
US-20170057946-A1 CARBAZOLE END CAPPED BIPYRIDINE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF SLC39A3, SLC30A7, ZKSCAN2 CCNT1 1528/4885CDK9 2218/4885KDM4E 1648/4885
US-10144722-B2 Carbazole end capped bipyridine compounds and process for preparation thereof SLC39A3, SLC30A7, ZKSCAN2 CCNT1 1528/4885CDK9 2218/4885KDM4E 1648/4885

“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.