SCHEMBL1401429

SCHEMBL1401429

O=CCc1ccc2ccncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
TBXAS1 P24557 1/20 0.51
PRKCZ Q05513 1/20 0.43
MELK Q14680 2/20 0.42
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HASPIN Q8TF76 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
CYP2A6 P11509 2/20 0.39
NAMPT P43490 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ERN1 O75460 1/20 0.38
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
PDE10A Q9Y233 1/20 0.36
IKBKB O14920 1/20 0.36
IMPDH2 P12268 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL29952031 1.00 CYP19A1 (0.51) CYP19A1TBXAS1PRKCZMELKCCNT1
SCHEMBL3126133 0.93 CYP19A1 (0.51) CYP19A1TBXAS1CCNT1CDK9HASPIN
SCHEMBL29956130 0.93 CYP19A1 (0.51) CYP19A1TBXAS1CCNT1CDK9HASPIN
SCHEMBL24343240 0.84 CYP19A1 (0.50) CYP19A1TBXAS1PRKCZMELKMRGPRX4
SCHEMBL29186057 0.80 CYP19A1 (0.47) CYP19A1TBXAS1PRKCZMELKCCNT1
SCHEMBL6897234 0.77 CYP19A1 (0.54) CYP19A1TBXAS1PRKCZMELKMRGPRX4
SCHEMBL30896286 0.77 CYP19A1 (0.54) CYP19A1TBXAS1PRKCZMELKCCNT1
SCHEMBL3153982 0.77 CYP19A1 (0.54) CYP19A1TBXAS1PRKCZMELKHASPIN
SCHEMBL5779124 0.77 MELK (0.55) CYP19A1TBXAS1PRKCZMELKCYP2A6
SCHEMBL3821797 0.77 CYP19A1 (0.54) CYP19A1TBXAS1PRKCZMELKMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383761-B1 Phenyl- and pyridyl-piperidines with tnf activity SANOFI AVENTIS (FR) 2011-03-02 EP disclosed
US-7326720-B2 Phenyl- and pyridylpiperidines with TNF activity SANOFI-AVENTIS (FR) 2008-02-05 US disclosed
US-20050209216-A1 Phenyl-and pyridyl-diazaheterocycles having a tnf-modulating activity SANOFI-AVENTIS (FR) 2005-09-22 US disclosed
EP-1517896-A2 PHENYL- AND PYRIDYL-DIAZAHETEROCYCLES HAVING A TNF-MODULATING ACTIVITY Sanofi-Aventis (FR) 2005-03-30 EP disclosed
EP-1226137-B8 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI AVENTIS (FR) 2004-12-15 EP disclosed
EP-1226137-B1 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI SYNTHELABO (FR) 2004-07-21 EP disclosed
CN-1158276-C Phenyl-and pyridyl-tetrahydropyridines with TNF inhibiting activity ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-07-21 CN disclosed
US-20040127517-A1 Phenyl-and pyridyl-piperidines with tnf activity SANOFI-AVENTIS (FR) 2004-07-01 US disclosed
EP-1383761-A1 PHENYL- AND PYRIDYL-PIPERIDINES WITH TNF ACTIVITY Sanofi-Aventis (FR) 2004-01-28 EP disclosed
WO-2003106425-A2 PHENYL- AND PYRIDYL-DIAZAHETEROCYCLES HAVING A TNF-MODULATING ACTIVITY SANOFI-SYNTHELABO (FR) 2003-12-24 WO disclosed
US-6509351-B1 A method of inhibiting TNF- alpha in a patient in need thereof which comprises administering to said patient an effective amount of a compound for inflamation SANOFI-SYNTELABO (FR) 2003-01-21 US disclosed
CN-1391570-A Phenyl-and pyridyl-tetrahydro-pyridines having TNF inhibiting activity SANOFI SYNTHELABO (FR) 2003-01-15 CN disclosed
WO-2002085887-A1 PHENYL- AND PYRIDYL-PIPERIDINES WITH TNF ACTIVITY SANOFI-SYNTHELABO (FR) 2002-10-31 WO disclosed
EP-1226137-A1 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI-SYNTHELABO (FR) 2002-07-31 EP disclosed
EP-1189879-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
WO-2001029026-A1 PHENYL- AND PYRIDYL-TETRAHYDRO-PYRIDINES HAVING TNF INHIBITING ACTIVITY SANOFI-SYNTHELABO (FR) 2001-04-26 WO disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 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-20040127517-A1 Phenyl-and pyridyl-piperidines with tnf activity TNF, TNFRSF1A, NGFR CYP19A1 2646/4885TBXAS1 846/4885PRKCZ 1425/4885
US-20050209216-A1 Phenyl-and pyridyl-diazaheterocycles having a tnf-modulating activity TNF, TNFRSF1A, CD40 CYP19A1 773/4885TBXAS1 1078/4885PRKCZ 1283/4885

“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.