SCHEMBL4846980

SCHEMBL4846980

Oc1cc(-c2ccc(Br)cn2)nc2ccncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.38
NPSR1 Q6W5P4 4/20 0.37
RXFP1 Q9HBX9 3/20 0.37
LMNA P02545 1/20 0.37
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
KMT2A Q03164 3/20 0.36
CDC7 O00311 1/20 0.36
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
EGFR P00533 2/20 0.34
G6PD P11413 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 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
SCHEMBL4849466 0.83 MAPT (0.48) CDC7PDGFRBPDGFRAMAPTLATS1
SCHEMBL15919447 0.82 KMT2A (0.46) NPSR1RXFP1LMNAKMT2ACDC7
SCHEMBL4851166 0.79 NPSR1 (0.48) METAP1NPSR1RXFP1LMNAPTPN7
SCHEMBL4849623 0.74 DHODH (0.48) NPSR1LMNAKMT2ACDC7MEN1
SCHEMBL20551578 0.71 KDM4E (0.41) CDC7PDGFRBPDGFRAEGFRPOLB
SCHEMBL4857363 0.71 ALDH1A1 (0.48) KMT2ACDC7MEN1KDM4EALDH1A1
SCHEMBL4852658 0.71 MAPK1 (0.47) CDC7MAPTESR1ESR2KDM4E
SCHEMBL15919444 0.70 ALDH1A1 (0.47) KMT2ACDC7MEN1MAPK10KDM4E
SCHEMBL4848530 0.69 GABRA1 (0.40) PDGFRBPDGFRAEGFRMAPTLATS1
SCHEMBL21730638 0.68 KDM4E (0.39) PDGFRBPDGFRAEGFRMAPK10KDM4E

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 8 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
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 METAP1 4685/4885NPSR1 28/4885RXFP1 315/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 METAP1 4633/4885NPSR1 34/4885RXFP1 300/4885

“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.