SCHEMBL5263383

SCHEMBL5263383

Cn1ncc(C[NH])c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL12181546 0.82 MPO (0.42) MPOCYP11B2KDM4ECYP1A2CYP2C9
SCHEMBL1842778 0.81 CYP11B2 (0.44) MPOCYP11B2KDM4ECYP1A2CYP2C9
SCHEMBL4924021 0.81 MPO (0.44) MPOCYP11B2KDM4ECYP1A2CYP2C9
Hydrochloric Acid SCHEMBL18283885 0.72 CYP11B2 (0.42) MPOCYP11B2KDM4ECYP1A2CYP2C9
SCHEMBL17653924 0.72 CCNE1 (0.38) MPOCYP11B2KDM4EALDH1A1MEN1
SCHEMBL24483790 0.71 CYP11B2 (0.45) MPOCYP11B2KDM4ECYP1A2CYP2C9
SCHEMBL12121231 0.71 CYP11B2 (0.45) MPOCYP11B2KDM4ECYP1A2CYP2C9
SCHEMBL27324058 0.71 LMNA (0.41) MPOCYP11B2KDM4ECYP1A2ALDH1A1
SCHEMBL29535867 0.70 SLC5A2 (0.43) MPOCYP11B2
SCHEMBL25145864 0.70 CACNA1H (0.39) MPOCYP11B2

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
EP-1451161-B1 IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 2007-04-18 EP disclosed
US-20060040940-A1 Imidazopyridines pyrimidines and triazines for enhancing cognition as gaba-a-alphas 5 receoptor subtype ligands BETTATI MICHELA 2006-02-23 US disclosed
EP-1451161-A1 IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS Merck Sharp & Dohme Limited (GB) 2004-09-01 EP disclosed
WO-2003048132-A1 IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2003-06-12 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-20060040940-A1 Imidazopyridines pyrimidines and triazines for enhancing cognition as gaba-a-alphas 5 receoptor subtype ligands CHRNA3, GABRA3, GABRB3 MPO 4678/4885CYP11B2 551/4885KDM4E 3211/4885

“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.