SCHEMBL4851274

SCHEMBL4851274

Oc1cc(-c2ccc(F)cn2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP19A1 P11511 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
DHODH Q02127 1/20 0.39
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.37
APAF1 O14727 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GLA P06280 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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 0.82 MAPT (0.48) TGFBR1MAPK14IDO1GRM5MAPT
SCHEMBL4848200 0.82 METAP1 (0.49) TGFBR1MAPK14NPC1RAB9AMYC
SCHEMBL9326676 0.82 MYC (0.52) NPC1RAB9ADHODHMYCMAX
SCHEMBL4855755 0.80 CYP19A1 (0.60) CYP19A1NPC1RAB9ADHODHMEN1
SCHEMBL10610977 0.78 KDM4E (0.57) DHODHKDM4ERXFP1ALDH1A1TDP1
SCHEMBL4854161 0.74 ADORA2B (0.36) NPC1RAB9AKMT2AGLARXFP1
SCHEMBL1256551 0.73 ACHE (0.61) DHODHKDM4EL3MBTL1HPGDCYP3A4
SCHEMBL10612165 0.73 ADORA2A (0.47) NPC1MYCMAXMEN1KMT2A
SCHEMBL6667030 0.72 DHODH (0.54) CYP19A1DHODHMEN1KMT2AKDM4E
SCHEMBL20696076 0.72 ACHE (0.59) DHODHKDM4EL3MBTL1HPGDCYP3A4

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 TGFBR1 1894/4885MAPK14 4077/4885CYP19A1 405/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 TGFBR1 1710/4885MAPK14 3827/4885CYP19A1 432/4885

“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.