SCHEMBL2898638

SCHEMBL2898638

CCCCc1cnnn1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.58
GGPS1 O95749 2/20 0.45
CYP19A1 P11511 4/20 0.43
P2RX7 Q99572 1/20 0.43
DUT P33316 1/20 0.43
POLB P06746 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CDC7 O00311 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 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
SCHEMBL18359857 0.83 HSD11B1 (0.56) HSD11B1CYP19A1P2RX7SIRT2SIRT1
SCHEMBL15874678 0.81 HSD11B1 (0.65) HSD11B1CYP19A1P2RX7DUTSIRT2
SCHEMBL4195851 0.78 HSD11B1 (0.61) HSD11B1CYP19A1P2RX7POLBSIRT2
SCHEMBL17167327 0.78 GGPS1 (0.52) HSD11B1GGPS1DUTTLR7
SCHEMBL21606708 0.77 HSD11B1 (0.77) HSD11B1P2RX7SIRT2SIRT1CYP11B1
SCHEMBL27855037 0.77 HSD11B1 (0.56) HSD11B1CYP19A1P2RX7SIRT2SIRT1
SCHEMBL3546972 0.76 GGPS1 (0.51) HSD11B1GGPS1DUTTLR7
SCHEMBL9926336 0.76 GGPS1 (0.51) GGPS1DUT
SCHEMBL18354111 0.76 HSD11B1 (0.52) HSD11B1CYP19A1P2RX7DUTSIRT2
SCHEMBL20841014 0.76 HSD11B1 (0.56) HSD11B1CYP19A1P2RX7DUTPOLB

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
EP-1943004-B1 RUTHENIUM-CATALYZED CYCLOADDITION OF ALKYNES AND ORGANIC AZIDES SCRIPPS RESEARCH INST (US) 2015-06-03 EP disclosed
EP-1943004-B1 RUTHENIUM-CATALYZED CYCLOADDITION OF ALKYNES AND ORGANIC AZIDES SCRIPPS RESEARCH INST (US) 2015-06-03 EP disclosed
US-8372986-B2 Ruthenium-catalyzed cycloaddition of alkynes and organic azides THE SCRIPPS RESEARCH INSTITUTE (US) 2013-02-12 US disclosed
US-8372986-B2 Ruthenium-catalyzed cycloaddition of alkynes and organic azides THE SCRIPPS RESEARCH INSTITUTE (US) 2013-02-12 US disclosed
CN-101316640-B Ruthenium-catalyzed cycloaddition of alkynes and organic azides SCRIPPS RESEARCH INST 2013-02-06 CN disclosed
US-20100286405-A1 Ruthenium-Catalyzed Cycloaddition of Alkynes and Organic Azides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-11 US disclosed
US-20100286405-A1 Ruthenium-Catalyzed Cycloaddition of Alkynes and Organic Azides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-11 US disclosed
CN-101316640-A Ruthenium-catalyzed cycloaddition of alkynes and organic azides SCRIPPS RESEARCH INST (US) 2008-12-03 CN disclosed
EP-1943004-A2 RUTHENIUM-CATALYZED CYCLOADDITION OF ALKYNES AND ORGANIC AZIDES The Scripps Research Institute (US) 2008-07-16 EP disclosed
WO-2007041451-A2 RUTHENIUM-CATALYZED CYCLOADDITION OF ALKYNES AND ORGANIC AZIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2007-04-12 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 (1 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-20100286405-A1 Ruthenium-Catalyzed Cycloaddition of Alkynes and Organic Azides CBR3, AOC3, CYB5R3 HSD11B1 1498/4885GGPS1 1859/4885CYP19A1 685/4885

“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.