SCHEMBL1436749

SCHEMBL1436749

CCCOc1ccc(B(O)O)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
LTA4H P09960 1/20 0.40
ACACB O00763 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3563846 0.87 LMNA (0.42) PDK2THRATHRBLTA4HKMT2A
SCHEMBL29955103 0.87 LMNA (0.42) PDK2THRATHRBLTA4HKMT2A
SCHEMBL19649433 0.82 PDK2 (0.46) PDK2THRATHRBPTPN7DUSP3
SCHEMBL29953890 0.79 LTA4H (0.43) PDK2PTPN7DUSP3LTA4HKMT2A
SCHEMBL12778374 0.79 PDK2 (0.43) PDK2THRATHRBPTPN7DUSP3
SCHEMBL29653552 0.78 EPHX2 (0.44) MAPTCA1CA2L3MBTL1
SCHEMBL41862 0.78 EPHX2 (0.44) MAPTCA1CA2L3MBTL1
SCHEMBL15332562 0.78 AR (0.50) PDK2ALOX5
SCHEMBL10352007 0.78 MAPT (0.48) PDK2THRATHRBPTPN7DUSP3
SCHEMBL27336912 0.78 PPARG (0.54) PDK2THRATHRBPTPN7DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections LEIVERS MARTIN 2011-03-03 US disclosed
WO-2011026091-A1 IMIDAZOPYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO disclosed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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 (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-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections ACE, ACE2, TPMT PDK2 1495/4885THRA 3193/4885THRB 3650/4885
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 PDK2 2973/4885THRA 4757/4885THRB 4714/4885

“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.