SCHEMBL1436748

SCHEMBL1436748

OCc1nc(-c2cccc(F)c2F)[nH]c1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.43
GRIN2B Q13224 3/20 0.42
SLC9A1 P19634 1/20 0.40
DHODH Q02127 4/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PARP1 P09874 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL7191779 0.78 KDM4E (0.46) NPC1ALDH1A1RAB9AMGAMGAA
SCHEMBL11618175 0.76 ALDH1A1 (0.49) SLC9A1NPC1ALDH1A1RAB9AMGAM
SCHEMBL3701288 0.72 GRK6 (0.43) GRK6GRIN2BSLC9A1DHODHPDE10A
Ammonia Solution, Strong SCHEMBL25300630 0.70 GAA (0.42) NPC1ALDH1A1RAB9AGAAPARP1
SCHEMBL13824120 0.69 NR4A2 (0.43) GRK6RAB9A
SCHEMBL3038641 0.69 CES2 (0.46) GRK6SLC9A1NPC1CCNE2CCNE1
SCHEMBL1221425 0.68 DYRK1A (0.43) GRK6GRIN2BSLC9A1NPC1ALDH1A1
SCHEMBL11622097 0.68 PIN1 (0.50) GRK6SLC9A1NPC1ALDH1A1PKM
SCHEMBL22321902 0.66 ADORA2B (0.45) ALDH1A1GAAPARP1CYP1A2CYP2C9
SCHEMBL3189256 0.66 NPC1 (0.51) GRK6GRIN2BSLC9A1DHODHNPC1

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-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections LEIVERS MARTIN 2011-03-03 US disclosed
WO-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO disclosed
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

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 GRK6 2269/4885GRIN2B 2552/4885SLC9A1 3205/4885
US-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections MAVS, ZC3HAV1, IL5 GRK6 3469/4885GRIN2B 2936/4885SLC9A1 4656/4885

“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.