SCHEMBL4851685

SCHEMBL4851685

Oc1cc(-c2ccccc2)nc2sccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.62
ADORA2A P29274 2/20 0.47
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
NTSR1 P30989 1/20 0.42
SMN1; SMN2 Q16637 7/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MAPK10 P53779 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GGPS1 O95749 1/20 0.40
FDPS P14324 1/20 0.40
HPGD P15428 4/20 0.39
ALDH1A1 P00352 2/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL4852605 0.84 DHODH (0.49) DHODHKMT2AMEN1MAPTALDH1A1
SCHEMBL7523844 0.80 DHODH (0.58) DHODHADORA2AKMT2AMEN1SMN1; SMN2
SCHEMBL4849634 0.73 MAPT (0.45) DHODHADORA2AKMT2AMEN1NTSR1
SCHEMBL1256551 0.73 ACHE (0.61) DHODHSMN1; SMN2LMNACYP2C9HPGD
SCHEMBL20696076 0.72 ACHE (0.59) DHODHSMN1; SMN2LMNACYP2C9HPGD
Methane SCHEMBL10433561 0.72 ACHE (0.59) DHODHSMN1; SMN2LMNACYP2C9HPGD
SCHEMBL9381085 0.71 DHODH (0.46) DHODHKMT2AALDH1A1KDM4EGAA
SCHEMBL16776799 0.70 ADORA2A (0.47) DHODHADORA2AKMT2ASMN1; SMN2MAPT
SCHEMBL12201040 0.68 ESR1 (0.53) DHODHKMT2AMEN1NTSR1SMN1; SMN2
SCHEMBL10610649 0.67 KDM4E (0.66) KMT2AMEN1MAPTLMNACYP1A2

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 13 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-6423711-B1 USEFUL IN DIAGNOSIS AND THERAPY OF ANXIETY, DOWN SYNDROME, SLEEP, COGNITIVE AND SEIZURE DISORDERS, AND OVERDOSE WITH BENZODIAZEPINE DRUGS AND FOR ENHANCEMENT OF ALERTNESS NEUROGEN CORPORATION 2002-07-23 US disclosed
US-20020077474-A1 Heterocyclic amino substituted heteroaryl fused pyridines; GABA brain receptor ligands NEUROGEN 2002-06-20 US disclosed
US-6380209-B1 HIGHLY SELECTIVE AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR GABA BRAIN RECEPTORS OR PRODRUGS, USEFUL IN THE DIAGNOSIS AND TREATMENT OF ANXIETY, DOWN SYNDROME, SLEEP, COGNITIVE AND SEIZURE DISORDERS NEUROGEN CORPORATION 2002-04-30 US disclosed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US disclosed
US-6166203-A Heterocyclic amino substituted heteroaryl fused pyridines; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2000-12-26 US disclosed
US-6103903-A ANXIOLYTIC AGENTS, ANTICONVULSANTS, COGNITION ACTIVATORS NEUROGEN CORPORATION (US) 2000-08-15 US disclosed
WO-1999043681-A1 4-(4-PIPERIDYLMETHYLAMINO) SUBSTITUTED HETEROARYL FUSED PYRIDINES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-09-02 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 (3 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-20020077474-A1 Heterocyclic amino substituted heteroaryl fused pyridines; GABA brain receptor ligands GABRA1, GABRA2, GABRA3 DHODH 3178/4885ADORA2A 67/4885KMT2A 1569/4885
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines CHRNA7, CHRNA4, GABRA6 DHODH 2286/4885ADORA2A 81/4885KMT2A 808/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 DHODH 2509/4885ADORA2A 73/4885KMT2A 612/4885

“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.