SCHEMBL4854898

SCHEMBL4854898

Oc1cc(-c2cccnc2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.63
CYP2C9 P11712 5/20 0.60
CYP19A1 P11511 1/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
THRB P10828 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
CYP11B1 P15538 1/20 0.51
F2 P00734 1/20 0.51
HPGD P15428 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL1256551 0.85 ACHE (0.61) DHODHCYP2C9LMNASMN1; SMN2L3MBTL1
SCHEMBL28871330 0.84 DHODH (0.66) DHODHCYP2C9CYP19A1MEN1KMT2A
SCHEMBL20696076 0.83 ACHE (0.59) DHODHCYP2C9LMNASMN1; SMN2L3MBTL1
Methane SCHEMBL10433561 0.83 ACHE (0.59) DHODHCYP2C9LMNASMN1; SMN2L3MBTL1
SCHEMBL16183294 0.82 KMT2A (0.58) DHODHCYP2C9CYP19A1MEN1KMT2A
SCHEMBL10674917 0.82 DHODH (0.61) DHODHCYP2C9MEN1KMT2ALMNA
SCHEMBL1901619 0.82 DHODH (0.90) DHODHCYP2C9MEN1KMT2ALMNA
SCHEMBL1239376 0.81 DHODH (0.59) DHODHCYP2C9CYP19A1MEN1KMT2A
SCHEMBL4849623 0.81 DHODH (0.48) DHODHCYP2C9CYP19A1MEN1KMT2A
SCHEMBL17308320 0.80 KMT2A (0.73) DHODHCYP2C9MEN1KMT2ALMNA

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 DHODH 2286/4885CYP2C9 226/4885CYP19A1 405/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 DHODH 2509/4885CYP2C9 273/4885CYP19A1 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.