SCHEMBL6776074

SCHEMBL6776074

O=C/C=C(/c1ccccc1)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CYP19A1 P11511 2/20 0.55
CYP11B2 P19099 2/20 0.55
ALDH1A1 P00352 3/20 0.50
PLOD2 O00469 1/20 0.50
PLOD3 O60568 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
PLOD1 Q02809 1/20 0.50
HIF1A Q16665 1/20 0.50
NAPRT Q6XQN6 1/20 0.45
HTT P42858 1/20 0.43
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
KCNK3 O14649 1/20 0.42

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
SCHEMBL6776075 1.00 KMT2A (0.55) KMT2AMEN1CYP19A1CYP11B2ALDH1A1
SCHEMBL376723 0.87 ALDH1A1 (0.48) KMT2AMEN1CYP19A1CYP11B2ALDH1A1
SCHEMBL25307098 0.85 TBXAS1 (0.48) CYP19A1CYP11B2ALDH1A1TBXAS1
SCHEMBL19668346 0.85 TBXAS1 (0.48) CYP19A1CYP11B2ALDH1A1TBXAS1
SCHEMBL8693546 0.83 TBXAS1 (0.56) CYP19A1CYP11B2ALDH1A1TBXAS1
SCHEMBL8693544 0.83 TBXAS1 (0.56) CYP19A1CYP11B2ALDH1A1TBXAS1
Dimethylamine SCHEMBL8994735 0.79 ALDH1A1 (0.46) KMT2AMEN1CYP19A1CYP11B2ALDH1A1
SCHEMBL10566764 0.78 TDP1 (0.52) KMT2AMEN1CYP19A1CYP11B2ALDH1A1
SCHEMBL10566758 0.78 TDP1 (0.52) KMT2AMEN1CYP19A1CYP11B2ALDH1A1
SCHEMBL8937855 0.76 KMT2A (0.61) KMT2AMEN1CYP19A1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774127-B2 TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2004-08-10 US disclosed
US-20030153569-A1 Novel pyrazole and pyrazoline substituted compounds SMITHKLINE BEECHAM CORPORATION 2003-08-14 US disclosed
US-20020156104-A1 CSBP/p38/RK kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-24 US disclosed
EP-1023066-A4 NOVEL PYRAZOLE AND PYRAZOLINE SUBSTITUTED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-05-23 EP disclosed
EP-1023066-A1 NOVEL PYRAZOLE AND PYRAZOLINE SUBSTITUTED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-02 EP disclosed
WO-1998056377-A1 NOVEL PYRAZOLE AND PYRAZOLINE SUBSTITUTED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-17 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-20030153569-A1 Novel pyrazole and pyrazoline substituted compounds PDXK, COQ8A, PDK3 KMT2A 3711/4885MEN1 3265/4885CYP19A1 3004/4885
US-20020156104-A1 CSBP/p38/RK kinase inhibitors MAPKAPK2, MAPKAPK3, MAPKAPK5 KMT2A 3249/4885MEN1 4619/4885CYP19A1 4854/4885

“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.