SCHEMBL4848530

SCHEMBL4848530

Oc1cc(-c2ncccc2F)nc2ccncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
DHODH Q02127 1/20 0.37
ACP1 P24666 1/20 0.36
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
NPC1 O15118 1/20 0.36
LATS1 O95835 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
KDM4E B2RXH2 4/20 0.35
MPI P34949 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34
EGFR P00533 2/20 0.33
LATS2 Q9NRM7 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
SCHEMBL4851166 0.77 NPSR1 (0.48) DHODHKDM4EL3MBTL1
SCHEMBL20547736 0.76 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4849623 0.75 DHODH (0.48) CSNK2A2CSNK2BDHODHKDM4EMAPT
SCHEMBL4849466 0.75 MAPT (0.48) CSNK2A2CSNK2BTGFBR1TGFBR2LATS1
SCHEMBL4857363 0.74 ALDH1A1 (0.48) CSNK2A2CSNK2BDHODHNPC1KDM4E
SCHEMBL15919444 0.73 ALDH1A1 (0.47) CSNK2A2CSNK2BDHODHKDM4E
SCHEMBL4857319 0.73 ADORA2A (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20547835 0.73 MAP4K4 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4846980 0.69 METAP1 (0.38) LATS1KDM4EMAPTEGFRLATS2
SCHEMBL20551578 0.69 KDM4E (0.41) CSNK2A2CSNK2BDHODHKDM4EEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US claimed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US claimed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US claimed
WO-2002000623-A2 ARYL FUSED SUBSTITUTED 4-OXY-PYRIDINES NEUROGEN CORPORATION (US) 2002-01-03 WO claimed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US disclosed
US-6828329-B2 Agonists, antagonists for gamma-aminobutyric acid brain receptors useful in diagnosis and treatment of anxiety depressionm, down syndrome, sleep and seizure disorders NEUROGEN CORPORATION 2004-12-07 US disclosed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US disclosed
WO-2002000623-A2 ARYL FUSED SUBSTITUTED 4-OXY-PYRIDINES NEUROGEN CORPORATION (US) 2002-01-03 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-20050154008-A1 Aryl fused substituted 4-oxy-pyridines CHRNA7, CHRNA4, GABRA6 GABRA1 13/4885GABRG2 9/4885GABRB3 32/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 GABRA1 4/4885GABRG2 3/4885GABRB3 25/4885

“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.