SCHEMBL5746291

SCHEMBL5746291

CCNc1ncc(Br)cc1C(=O)Nc1c(Cl)cc(C)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KDR P35968 1/20 0.44
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.37
PGK1 P00558 3/20 0.36
MAPK14 Q16539 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
SORT1 Q99523 3/20 0.33
CHRNA7 P36544 2/20 0.33
GRM5 P41594 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL5743146 0.85 KDR (0.44) LMNAKDRMAPTRXFP1PGK1
SCHEMBL5743141 0.83 KDR (0.46) LMNAKDRMAPTPGK1GAA
SCHEMBL6958954 0.77 KDR (0.47) LMNAKDRMAPTPGK1GAA
SCHEMBL3572839 0.71 HCAR3 (0.41) KDRTSHRSORT1CHRNA7
SCHEMBL8299609 0.71 KDR (0.48) LMNAKDRMAPTRXFP1L3MBTL1
SCHEMBL3211277 0.71 SMN1; SMN2 (0.40) MAPTRXFP1GAA
SCHEMBL5745351 0.70 KDR (0.40) LMNAKDRMAPTPGK1GAA
SCHEMBL15635878 0.70 OPRK1 (0.48) LMNAMAPTRXFP1GAATSHR
SCHEMBL4520726 0.69 L3MBTL1 (0.43) LMNAMAPTGAATSHRL3MBTL1
SCHEMBL4030073 0.69 KDR (0.39) LMNAKDRMAPTRXFP1PGK1

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-1655300-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-05-10 EP disclosed
EP-1294720-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-03-26 EP disclosed
US-6420359-B1 5,11-Dihydro-11-ethyl-5-methyl-8-(2-((1-oxido-4-quinolinyl)oxy)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one for example; antiviral agents for HIV infection BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-07-16 US disclosed
US-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-03-07 US disclosed
WO-2001096338-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-12-20 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-20020028807-A1 Non-nucleoside reverse transcriptase inhibitors REV1, POLR2H, POLR2E LMNA 3364/4885KDR 4500/4885MAPT 3668/4885

“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.