SCHEMBL1436397

SCHEMBL1436397

O=Cc1nc(-c2cccc(F)c2F)[nH]c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.39
GRK6 P43250 1/20 0.39
DHODH Q02127 3/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2B Q13224 3/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
PARP1 P09874 1/20 0.35
DYRK1A Q13627 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 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
SCHEMBL2560940 0.71 CCNE2 (0.41) SLC9A1GRK6DHODHNPC1ALDH1A1
SCHEMBL2561699 0.69 REV1 (0.42) SLC9A1GRK6CCNE2CCNE1CDK2
SCHEMBL3038641 0.67 CES2 (0.46) SLC9A1GRK6NPC1CCNE2CCNE1
SCHEMBL31289535 0.65 ALDH1A1 (0.51) NPC1ALDH1A1PKMRAB9AL3MBTL1
SCHEMBL1436748 0.65 GRK6 (0.43) SLC9A1GRK6DHODHNPC1ALDH1A1
SCHEMBL3189256 0.65 NPC1 (0.51) SLC9A1GRK6DHODHNPC1ALDH1A1
SCHEMBL4328219 0.64 CTSL (0.46) SLC9A1GRK6CCNE2CCNE1CDK2
SCHEMBL21763891 0.64 GRK6 (0.45) SLC9A1GRK6DHODHALDH1A1GRIN2B
SCHEMBL1221425 0.64 DYRK1A (0.43) SLC9A1GRK6NPC1ALDH1A1PKM
SCHEMBL11947495 0.64 MGAM (0.48) SLC9A1GRK6DHODHNPC1ALDH1A1

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
WO-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO disclosed
US-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections LEIVERS MARTIN 2011-03-03 US 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 SLC9A1 3205/4885GRK6 2269/4885DHODH 994/4885
US-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections MAVS, ZC3HAV1, IL5 SLC9A1 4656/4885GRK6 3469/4885DHODH 790/4885

“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.