SCHEMBL467007

SCHEMBL467007

O=C(N(c1ccccc1)c1ccccc1)n1ccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
CYP24A1 Q07973 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1119676 0.91 LMNA (0.46) LMNATHRBHPGDL3MBTL1ALDH1A1
SCHEMBL427205 0.83 KDM4E (0.53) LMNATHRBHPGDL3MBTL1FAAH
SCHEMBL5651399 0.81 ALDH1A1 (0.53) HPGDALDH1A1FAAHMGLLTSHR
SCHEMBL9906756 0.77 L3MBTL1 (0.57) LMNATHRBHPGDL3MBTL1ALDH1A1
SCHEMBL9471589 0.76 ALDH1A1 (0.41) ALDH1A1NPSR1FAAHMGLLPOLB
SCHEMBL27452187 0.73 CYP19A1 (0.49) L3MBTL1SMN1; SMN2KMT2A
SCHEMBL5648204 0.73 CYP1A2 (0.51) LMNAHPGDKMT2ACYP3A4
SCHEMBL1424751 0.73 CYP19A1 (0.47) L3MBTL1FAAHMGLLTSHRCYP24A1
SCHEMBL1260765 0.71 FAAH (0.52) ALDH1A1FAAHMGLLPOLBCYP24A1
SCHEMBL24937727 0.71 NPSR1 (0.50) LMNATHRBHPGDL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102757423-B Exo-and diastereoselective synthesis of himbacine analogs SCHERING CORP. (US) 2016-04-20 CN disclosed
EP-2399912-B1 An exo-selective synthesis of himbacine analogs MERCK SHARP & DOHME (US) 2015-02-25 EP disclosed
EP-2196454-B1 EXO-AND DIASTEREO-SELECTIVE SYNTHESES OF HIMBACINE ANALOGS MERCK SHARP & DOHME (US) 2014-08-27 EP disclosed
US-8618314-B2 Exo- and diastereo-selective synthesis of himbacine analogs MERCK SHARP & DOHME CORP. (US) 2013-12-31 US disclosed
EP-1846385-B1 AN EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
EP-2196468-B1 Exo-and diastereo-selective syntheses of himbacine analogs MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
US-20120302745-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS THIRUVENGADAM TIRUVETTIPURAM K (US) 2012-11-29 US disclosed
US-20120302745-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS THIRUVENGADAM TIRUVETTIPURAM K (US) 2012-11-29 US disclosed
US-20120296093-A1 EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS TOPROL ACQUISITION LLC 2012-11-22 US disclosed
US-20120296093-A1 EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS TOPROL ACQUISITION LLC 2012-11-22 US disclosed
WO-2008095646-A1 METHOD FOR LITHIUM EXCHANGE REACTIONS LONZA AG (CH) 2008-08-14 WO disclosed
EP-1956023-A1 Method for lithium exchange reactions LONZA AG (CH) 2008-08-13 EP disclosed
EP-1848705-A2 EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2007-10-31 EP disclosed
EP-1846385-A2 AN EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2007-10-24 EP disclosed
US-20060247450-A1 Exo- and diastereo- selective syntheses of himbacine analogs SCHERING CORPORATION 2006-11-02 US disclosed
US-20060217422-A1 Exo-selective synthesis of himbacine analogs SCHERING CORPORATION 2006-09-28 US disclosed
WO-2006076415-A2 EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2006-07-20 WO disclosed
WO-2006076452-A2 AN EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2006-07-20 WO disclosed
US-4154945-A Fungicidal substituted imidazoles THE BOOTS COMPANY LIMITED (GB) 1979-05-15 US disclosed
US-4080462-A Fungicidal compositions containing substituted imidazoles THE BOOTS COMPANY LIMITED (EN) 1978-03-21 US 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 (4 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-20060247450-A1 Exo- and diastereo- selective syntheses of himbacine analogs EDNRA, EDNRB, NMBR LMNA 2407/4885THRB 50/4885HPGD 1570/4885
US-20060217422-A1 Exo-selective synthesis of himbacine analogs CHKB, BDKRB1, EDNRB LMNA 3058/4885THRB 43/4885HPGD 3112/4885
US-20120296093-A1 EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS EDNRA, EDNRB, NMBR LMNA 2206/4885THRB 51/4885HPGD 1517/4885
US-20120302745-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS CHKB, BDKRB1, EDNRB LMNA 3058/4885THRB 43/4885HPGD 3112/4885

“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.